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a/extract/embeddings/remote_homology/esm2_3b/meta.json b/extract/embeddings/remote_homology/esm2_3b/meta.json new file mode 100644 index 0000000000000000000000000000000000000000..26012a49bd8933bf2205ced2ccd3953b735d5332 --- /dev/null +++ b/extract/embeddings/remote_homology/esm2_3b/meta.json @@ -0,0 +1,43 @@ +{ + "encoder": "esm2_3b", + "family": "hf_plm", + "target": "facebook/esm2_t36_3B_UR50D", + "weights": "pretrained", + "rule": "final residue states, special tokens removed, masked mean over valid residues; fp16 weights", + "env": "base", + "checkpoint": "facebook/esm2_t36_3B_UR50D", + "checkpoint_revision": "476b639933c8baad5ad09a60ac1a87f987b656fc", + "dtype": "float16", + "hidden_size": 2560, + "n_layers": 36, + "n_parameters": 2835070881, + "inputs_passed": "amino-acid sequence only", + "task": "remote_homology", + "date": "2026-09-20 11:15", + "seconds": 178.4, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/remote_homology.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 480, + "train": 6000, + "valid": 506 + }, + "health": { + "n_rows": 6986, + "dim": 2560, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 6985, + "numerical_rank": 2559, + "max_abs": 14.5159912109375 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.16059037802733606, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/remote_homology/gcpnet_pretrained/ids_test.txt b/extract/embeddings/remote_homology/gcpnet_pretrained/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..c46b3a1696b9fce415e50d4700af7aabae77b2c4 --- /dev/null +++ b/extract/embeddings/remote_homology/gcpnet_pretrained/ids_test.txt @@ -0,0 +1,480 @@ +d1twfl_ +d1b3qa2 +d2p5zx1 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"external_repos/GCPNet/checkpoints/PSR/model_epoch_115_localpearson_0_616_localspearman_0_532_localkendall_0_385_globalpearson_0_871_globalspearman_0_869_globalkendall_0_676.ckpt", + "checkpoint_sha256": "ff7b73be01fb57d5", + "checkpoint_loaded_by": "strict=True", + "weights_sha256": "15bd126ac55f26a2", + "n_parameters": 1153181, + "inputs_passed": "all heavy atoms of the structure file (elements and coordinates); residue identity enters through side-chain atoms", + "patch": "patched/gcpnet_official.py", + "task": "remote_homology", + "date": "2026-09-20 11:28", + "seconds": 476.7, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/remote_homology.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 480, + "train": 6000, + "valid": 506 + }, + "health": { + "n_rows": 6986, + "dim": 116, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 6986, + "numerical_rank": 115, + "max_abs": 2.070418119430542 + }, + "input_audit": { + "rel_change_jitter_1A": 0.5457864701747894, + "rel_change_coord_swap": 0.26095230877399445, + "rel_change_seq_shuffle": 0.03569234535098076, + "rel_change_rigid_motion": 0.00025720152189023793, + "verdict": "pass" + } +} diff --git a/extract/embeddings/remote_homology/gvp/ids_test.txt b/extract/embeddings/remote_homology/gvp/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..c46b3a1696b9fce415e50d4700af7aabae77b2c4 --- /dev/null +++ b/extract/embeddings/remote_homology/gvp/ids_test.txt @@ -0,0 +1,480 @@ +d1twfl_ +d1b3qa2 +d2p5zx1 +d1k28a1 +d1j6qa_ +d3d3ra1 +d2ot2a1 +d2z1ca1 +d2k5wa1 +d2k5qa1 +d1n4ka2 +d1mrza1 +d1n08a_ +d2oq0a2 +d1nb9a_ +d1vloa1 +d1vlya1 +d1wosa1 +d1v5va1 +d2jdid2 +d1skyb2 +d1skye2 +d1mabb2 +d1fx0a2 +d2jdia2 +d1vhea1 +d1yloa1 +d3ctaa2 +d2grea1 +d2oq0a1 +d2qi2a1 +d2c34a1 +d1xzwa1 +d1o75a2 +d1o75a1 +d2cu9a1 +d1k5ja_ +d1nlqa_ +d1stma_ 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28.9, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/remote_homology.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 480, + "train": 6000, + "valid": 506 + }, + "health": { + "n_rows": 6986, + "dim": 116, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 6986, + "numerical_rank": 115, + "max_abs": 2.8747382164001465 + }, + "input_audit": { + "rel_change_jitter_1A": 0.03118545608185685, + "rel_change_coord_swap": 0.0063201406377201026, + "rel_change_seq_shuffle": 0.002777462957462268, + "rel_change_rigid_motion": 8.503984689595561e-08, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/remote_homology/mace/ids_test.txt b/extract/embeddings/remote_homology/mace/ids_test.txt new file mode 100644 index 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0000000000000000000000000000000000000000..e61b6da73661d80324b1ef1533fffc08470ce529 --- /dev/null +++ b/extract/embeddings/remote_homology/mace/meta.json @@ -0,0 +1,39 @@ +{ + "encoder": "mace", + "family": "registry", + "target": "mace", + "weights": "random", + "rule": "final invariant node states of the wrapper, masked mean over valid residues", + "env": "base", + "seed": 20260919, + "weights_sha256": "e8e9d6fd9722cc4e", + "n_parameters": 584064, + "task": "remote_homology", + "date": "2026-09-20 11:16", + "seconds": 23.7, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/remote_homology.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 480, + "train": 6000, + "valid": 506 + }, + "health": { + "n_rows": 6986, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 6986, + "numerical_rank": 127, + "max_abs": 1.2218812704086304 + }, + "input_audit": { + "rel_change_jitter_1A": 0.014915865242322838, + "rel_change_coord_swap": 0.05683945173750876, + "rel_change_seq_shuffle": 0.0523291422188011, + "rel_change_rigid_motion": 1.3602486243731065e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/remote_homology/pottsmpnn_ft/ids_test.txt b/extract/embeddings/remote_homology/pottsmpnn_ft/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..c46b3a1696b9fce415e50d4700af7aabae77b2c4 --- /dev/null +++ b/extract/embeddings/remote_homology/pottsmpnn_ft/ids_test.txt @@ -0,0 +1,480 @@ +d1twfl_ +d1b3qa2 +d2p5zx1 +d1k28a1 +d1j6qa_ +d3d3ra1 +d2ot2a1 +d2z1ca1 +d2k5wa1 +d2k5qa1 +d1n4ka2 +d1mrza1 +d1n08a_ +d2oq0a2 +d1nb9a_ +d1vloa1 +d1vlya1 +d1wosa1 +d1v5va1 +d2jdid2 +d1skyb2 +d1skye2 +d1mabb2 +d1fx0a2 +d2jdia2 +d1vhea1 +d1yloa1 +d3ctaa2 +d2grea1 +d2oq0a1 +d2qi2a1 +d2c34a1 +d1xzwa1 +d1o75a2 +d1o75a1 +d2cu9a1 +d1k5ja_ +d1nlqa_ 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residues of the chain", + "manifest": "manifest/remote_homology.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 480, + "train": 6000, + "valid": 506 + }, + "health": { + "n_rows": 6986, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 6986, + "numerical_rank": 127, + "max_abs": 2.6449344158172607 + }, + "input_audit": { + "rel_change_jitter_1A": 0.5082692283690026, + "rel_change_coord_swap": 0.13421373340726975, + "rel_change_seq_shuffle": 0.0, + "rel_change_rigid_motion": 1.330835728765909e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/remote_homology/pottsmpnn_soluble/ids_test.txt b/extract/embeddings/remote_homology/pottsmpnn_soluble/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..c46b3a1696b9fce415e50d4700af7aabae77b2c4 --- /dev/null +++ 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0000000000000000000000000000000000000000..801b834517476794c508c741a6615624c3c6e019 --- /dev/null +++ b/extract/embeddings/remote_homology/pottsmpnn_soluble/meta.json @@ -0,0 +1,38 @@ +{ + "encoder": "pottsmpnn_soluble", + "family": "registry", + "target": "pottsmpnn_soluble_pretrained", + "weights": "pretrained", + "rule": "encoder h_V, masked mean", + "env": "base", + "weights_sha256": "31f0aac7f4cefa1a", + "n_parameters": 1712085, + "task": "remote_homology", + "date": "2026-09-20 11:19", + "seconds": 34.4, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/remote_homology.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 480, + "train": 6000, + "valid": 506 + }, + "health": { + "n_rows": 6986, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 6986, + "numerical_rank": 127, + "max_abs": 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+d2cfua2 +d2bi7a2 +d1u7za_ +d1nnwa_ +d1ztca1 +d1hska1 +d1ryaa_ +d2hj1a1 +d1oj5a_ +d2phpa1 +d1stza2 +d1itwa_ +d1b74a1 +d2gp4a1 +d1moqa_ +d1e19a_ +d1pswa_ +d1kkma_ +d2pjua1 +d1ieja_ +d1b1xa1 +d1dota2 +d2p0sa1 +d1j5xa_ +d1e8ca1 +d1l3la2 +d2grga1 +d1m4ja_ +d1u0ma1 +d2gnxa2 +d1m4ia_ +d2d4pa1 +d1ei6a_ +d1jhsa_ +d2ddza1 +d1de3a_ +d1bb8a_ +d1sqha_ diff --git a/extract/embeddings/remote_homology/prottrans_t5_xl_u50/meta.json b/extract/embeddings/remote_homology/prottrans_t5_xl_u50/meta.json new file mode 100644 index 0000000000000000000000000000000000000000..c7ac0633bc4fd61a0e76397021b513afcc1fe17c --- /dev/null +++ b/extract/embeddings/remote_homology/prottrans_t5_xl_u50/meta.json @@ -0,0 +1,43 @@ +{ + "encoder": "prottrans_t5_xl_u50", + "family": "hf_plm", + "target": "Rostlab/prot_t5_xl_half_uniref50-enc", + "weights": "pretrained", + "rule": "final residue states, special tokens removed, masked mean over valid residues", + "env": "base", + "checkpoint": "Rostlab/prot_t5_xl_half_uniref50-enc", + "checkpoint_revision": "94a6abc029ae13029317b140b7424e012bf8dfbf", + "dtype": "float16", + "hidden_size": 1024, + "n_layers": 24, + "n_parameters": 1208141824, + "inputs_passed": "amino-acid sequence only", + "task": "remote_homology", + "date": "2026-09-20 11:12", + "seconds": 128.4, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/remote_homology.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 480, + "train": 6000, + "valid": 506 + }, + "health": { + "n_rows": 6986, + "dim": 1024, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 6985, + "numerical_rank": 1024, + "max_abs": 0.4141782224178314 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.7503630666663541, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/remote_homology/saprot/ids_test.txt b/extract/embeddings/remote_homology/saprot/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..c46b3a1696b9fce415e50d4700af7aabae77b2c4 --- /dev/null +++ b/extract/embeddings/remote_homology/saprot/ids_test.txt @@ -0,0 +1,480 @@ +d1twfl_ +d1b3qa2 +d2p5zx1 +d1k28a1 +d1j6qa_ +d3d3ra1 +d2ot2a1 +d2z1ca1 +d2k5wa1 +d2k5qa1 +d1n4ka2 +d1mrza1 +d1n08a_ +d2oq0a2 +d1nb9a_ +d1vloa1 +d1vlya1 +d1wosa1 +d1v5va1 +d2jdid2 +d1skyb2 +d1skye2 +d1mabb2 +d1fx0a2 +d2jdia2 +d1vhea1 +d1yloa1 +d3ctaa2 +d2grea1 +d2oq0a1 +d2qi2a1 +d2c34a1 +d1xzwa1 +d1o75a2 +d1o75a1 +d2cu9a1 +d1k5ja_ +d1nlqa_ +d1stma_ +d1p2za1 +d1m3ya1 +d1m3ya2 +d1hx6a1 +d2vgna1 +d1hx6a2 +d2pr9a1 +d1f0la1 +d1h8la1 +d2oqea1 +d1w2za1 +d1hyoa1 +d2heqa1 +d2dk3a1 +d2eyqa1 +d1y71a1 +d1auua_ +d1ib8a1 +d2d9ra1 +d1xvsa_ +d1y7ea1 +d1bw3a_ +d1k8fa_ +d1vh4a_ +d1hf2a1 +d1p9ha_ +d1ig0a1 +d1ig3a1 +d2arca_ 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+d1de3a_ +d1bb8a_ +d1sqha_ diff --git a/extract/embeddings/remote_homology/saprot/meta.json b/extract/embeddings/remote_homology/saprot/meta.json new file mode 100644 index 0000000000000000000000000000000000000000..15c2670e59fb6adcd4197db7841a678950905c2b --- /dev/null +++ b/extract/embeddings/remote_homology/saprot/meta.json @@ -0,0 +1,41 @@ +{ + "encoder": "saprot", + "family": "patched", + "target": "saprot_hf", + "weights": "pretrained", + "rule": "final hidden states at the L residue positions of AA+3Di tokens", + "env": "base", + "checkpoint": "westlake-repl/SaProt_650M_AF2", + "checkpoint_revision": "d9b9ad00ef61c0990e611b2b43f2231c7de24b38", + "n_parameters": 651242901, + "inputs_passed": "amino-acid track: real sequence; 3Di track: real tokens from mini3di on the structure; no pLDDT masking", + "patch": "patched/saprot_hf.py", + "task": "remote_homology", + "date": "2026-09-20 11:30", + "seconds": 180.0, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/remote_homology.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 480, + "train": 6000, + "valid": 506 + }, + "health": { + "n_rows": 6986, + "dim": 1280, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 6986, + "numerical_rank": 1279, + "max_abs": 1.3672527074813843 + }, + "input_audit": { + "rel_change_jitter_1A": 0.8705030813272382, + "rel_change_coord_swap": 0.4102216970171252, + "rel_change_seq_shuffle": 0.8413755808217256, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/ankh_base/ids_test.txt b/extract/embeddings/subcellular_localization/ankh_base/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ 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"n_parameters": 453170688, + "inputs_passed": "amino-acid sequence only", + "task": "subcellular_localization", + "date": "2026-09-20 04:59", + "seconds": 325.2, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 768, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 768, + "max_abs": 0.6937402486801147 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.5002829140921271, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/cdconv/ids_test.txt 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a/extract/embeddings/subcellular_localization/cdconv/ids_valid.txt b/extract/embeddings/subcellular_localization/cdconv/ids_valid.txt new file mode 100644 index 0000000000000000000000000000000000000000..d3e555ebf7179bfae258726eeb048681f54a0958 --- /dev/null +++ b/extract/embeddings/subcellular_localization/cdconv/ids_valid.txt @@ -0,0 +1,1500 @@ +P43606 +O74742 +P22108 +Q96CW1 +Q9JKY0 +Q9UEE5 +Q3TBL6 +O74401 +Q8VYS2 +D4ABL6 +Q80UP3 +Q22453 +Q9FKB3 +Q9EP80 +Q8GUI6 +Q9NX08 +Q9D1E6 +F4JCU0 +P38806 +Q9SZL6 +Q6PE84 +Q12473 +P11167 +A9Q751 +P56706 +Q9U6M1 +P41698 +P32500 +J3SBP3 +O96621 +Q5H8A5 +P22987 +Q8H1B3 +P34540 +A2BE28 +Q12438 +P38783 +Q9FI73 +B0F481 +P40154 +P85970 +P32525 +P25675 +Q9Y7J2 +Q6NLC1 +Q9UUH6 +Q6PII3 +Q9XIM0 +D4AYG1 +P86095 +P01421 +Q9XE33 +B9G5N1 +P40389 +Q32SG6 +Q80WM9 +P29060 +Q98867 +O22130 +D0PX85 +A0A125S9E5 +P01420 +Q13574 +Q10321 +P15382 +Q8T5C6 +A8MPH9 +Q5I7G2 +Q6UPR8 +Q15738 +O14965 +P01014 +Q8C006 +O14182 +O74461 +P25574 +Q0JQF7 +Q5N829 +P32249 +Q5T197 +Q4VBD9 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"71e5f811f644cdf2", + "n_parameters": 362752, + "task": "subcellular_localization", + "date": "2026-09-20 05:03", + "seconds": 23.9, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 127, + "max_abs": 1.3211644887924194 + }, + "input_audit": { + "rel_change_jitter_1A": 0.00359466125781171, + "rel_change_coord_swap": 0.005332541273893109, + "rel_change_seq_shuffle": 0.01124036381104809, + "rel_change_rigid_motion": 1.23831448402748e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/esm1b/ids_test.txt 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"facebook/esm1b_t33_650M_UR50S", + "checkpoint_revision": "7b37824baec4d3658e1df7479222a7c79b465b76", + "dtype": "float32", + "hidden_size": 1280, + "n_layers": 33, + "n_parameters": 650716821, + "inputs_passed": "amino-acid sequence only", + "task": "subcellular_localization", + "date": "2026-09-20 04:45", + "seconds": 380.9, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 1280, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 1279, + "max_abs": 17.98320198059082 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.11968619571511047, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/esm2_150m/ids_test.txt b/extract/embeddings/subcellular_localization/esm2_150m/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/esm2_150m/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 +Q04964 +Q12049 +Q9GS00 +P48566 +Q8W104 +Q96T68 +Q9P785 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"pretrained", + "rule": "final residue states, special tokens removed, masked mean over valid residues", + "env": "base", + "checkpoint": "facebook/esm2_t30_150M_UR50D", + "checkpoint_revision": "a695f6045e2e32885fa60af20c13cb35398ce30c", + "dtype": "float32", + "hidden_size": 640, + "n_layers": 30, + "n_parameters": 148385241, + "inputs_passed": "amino-acid sequence only", + "task": "subcellular_localization", + "date": "2026-09-20 04:49", + "seconds": 159.7, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 640, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 639, + "max_abs": 7.333627223968506 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.23306057014528236, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/esm2_35m/ids_test.txt b/extract/embeddings/subcellular_localization/esm2_35m/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/esm2_35m/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 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"esm2_35m", + "family": "hf_plm", + "target": "facebook/esm2_t12_35M_UR50D", + "weights": "pretrained", + "rule": "final residue states, special tokens removed, masked mean over valid residues", + "env": "base", + "checkpoint": "facebook/esm2_t12_35M_UR50D", + "checkpoint_revision": "6fbf070e65b0b7291e7bbcd451118c216cff79d8", + "dtype": "float32", + "hidden_size": 480, + "n_layers": 12, + "n_parameters": 33762001, + "inputs_passed": "amino-acid sequence only", + "task": "subcellular_localization", + "date": "2026-09-20 04:46", + "seconds": 56.4, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 480, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 479, + "max_abs": 6.337296485900879 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.2002921266035882, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/esm2_3b/ids_test.txt b/extract/embeddings/subcellular_localization/esm2_3b/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/esm2_3b/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 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"n_layers": 33, + "n_parameters": 650714261, + "inputs_passed": "amino-acid sequence only", + "task": "subcellular_localization", + "date": "2026-09-20 04:54", + "seconds": 402.1, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 1280, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 1279, + "max_abs": 8.65932846069336 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.18661678857220632, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/esm2_8m/ids_test.txt 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"facebook/esm2_t6_8M_UR50D", + "checkpoint_revision": "c731040fcd8d73dceaa04b0a8e6329b345b0f5df", + "dtype": "float32", + "hidden_size": 320, + "n_layers": 6, + "n_parameters": 7737401, + "inputs_passed": "amino-acid sequence only", + "task": "subcellular_localization", + "date": "2026-09-20 04:45", + "seconds": 25.5, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 320, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 319, + "max_abs": 5.301142692565918 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.2041863371369027, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/esm3/ids_test.txt b/extract/embeddings/subcellular_localization/esm3/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/esm3/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 +Q04964 +Q12049 +Q9GS00 +P48566 +Q8W104 +Q96T68 +Q9P785 +Q9NZD8 +Q9P375 +P41220 +Q9JHH9 +Q96JN0 +Q15024 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"base", + "checkpoint": "esm3-sm-open-v1/data/weights/esm3_sm_open_v1.pth", + "dtype": "bfloat16", + "n_parameters": 1401735748, + "inputs_passed": "sequence track: true residues; structure track: VQ-VAE tokens from the real backbone (N, CA, C, O, CB) plus coordinates for geometric attention; function, SASA and secondary-structure tracks at their defaults", + "patch": "patched/esm3_inproc.py", + "task": "subcellular_localization", + "date": "2026-09-20 05:41", + "seconds": 478.1, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 1536, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 1536, + "max_abs": 8942.5849609375 + }, + "input_audit": { + "rel_change_jitter_1A": 0.3911045424821484, + "rel_change_coord_swap": 0.1052052461015038, + "rel_change_seq_shuffle": 0.23244728451209695, + "rel_change_rigid_motion": 0.0020265780064980155, + "verdict": "pass" + } +} diff --git a/extract/embeddings/subcellular_localization/esm_if1/ids_test.txt b/extract/embeddings/subcellular_localization/esm_if1/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/esm_if1/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 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b/extract/embeddings/subcellular_localization/esm_if1/meta.json @@ -0,0 +1,38 @@ +{ + "encoder": "esm_if1", + "family": "registry", + "target": "esm_if", + "weights": "pretrained", + "rule": "GVP-Transformer encoder output before decoding", + "env": "base", + "weights_sha256": "0edb76de890a0108", + "n_parameters": 141662150, + "task": "subcellular_localization", + "date": "2026-09-20 05:33", + "seconds": 633.0, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 512, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 511, + "max_abs": 1.4142898321151733 + }, + "input_audit": { + "rel_change_jitter_1A": 1.5038823538036952, + "rel_change_coord_swap": 0.44554338093155743, + "rel_change_seq_shuffle": 3.7119620975877243e-07, + "rel_change_rigid_motion": 1.1063191420970738e-05, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/foldseek_3di/ids_test.txt b/extract/embeddings/subcellular_localization/foldseek_3di/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/foldseek_3di/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 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b/extract/embeddings/subcellular_localization/foldseek_3di/meta.json @@ -0,0 +1,40 @@ +{ + "encoder": "foldseek_3di", + "family": "patched", + "target": "foldseek_3di", + "weights": "pretrained", + "rule": "one-hot 3Di state per residue; protein level is the state frequency", + "env": "base", + "tool": "mini3di 0.2.1", + "inputs_passed": "N, CA, C, CB coordinates", + "n_parameters": 0, + "patch": "patched/foldseek_3di.py", + "task": "subcellular_localization", + "date": "2026-09-20 05:35", + "seconds": 32.1, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 20, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9972, + "numerical_rank": 19, + "max_abs": 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b/extract/embeddings/subcellular_localization/foldvision/meta.json @@ -0,0 +1,42 @@ +{ + "encoder": "foldvision", + "family": "patched", + "target": "foldvision_global", + "weights": "pretrained", + "rule": "native FoldVisionEncoder.encode global embedding; no residue states", + "env": "base", + "checkpoint": "AlexanderKroll/foldvision-encoder", + "n_parameters": 122226304, + "inputs_passed": "the structure file as given (all atoms present in it), voxelised by FoldVision's own preprocessing", + "patch": "patched/foldvision_global.py", + "residue_level": false, + "pose": "principal-axis pose with fixed axis signs, applied to the structure file before voxelisation", + "task": "subcellular_localization", + "date": "2026-09-20 06:34", + "seconds": 3556.5, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 1024, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 1024, + "max_abs": 5.423613548278809 + }, + "input_audit": { + "rel_change_jitter_1A": 0.9399117827415466, + "rel_change_coord_swap": 0.19160349667072296, + "rel_change_seq_shuffle": 0.029323811642825603, + "rel_change_rigid_motion": 0.0002744854864431545, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/gcpnet_pretrained/ids_test.txt b/extract/embeddings/subcellular_localization/gcpnet_pretrained/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/gcpnet_pretrained/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 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"train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 116, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 116, + "max_abs": 2.0826101303100586 + }, + "input_audit": { + "rel_change_jitter_1A": 0.06854108348488808, + "rel_change_coord_swap": 0.0053557404316961765, + "rel_change_seq_shuffle": 0.0014149958733469248, + "rel_change_rigid_motion": 1.3332899470697157e-05, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/gearnet/ids_test.txt b/extract/embeddings/subcellular_localization/gearnet/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/gearnet/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 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a/extract/embeddings/subcellular_localization/gearnet/meta.json b/extract/embeddings/subcellular_localization/gearnet/meta.json new file mode 100644 index 0000000000000000000000000000000000000000..3f61f98c33afc7eadd23a35e658706e95c690b70 --- /dev/null +++ b/extract/embeddings/subcellular_localization/gearnet/meta.json @@ -0,0 +1,39 @@ +{ + "encoder": "gearnet", + "family": "registry", + "target": "gearnet", + "weights": "random", + "rule": "final invariant node states of the wrapper, masked mean over valid residues", + "env": "base", + "seed": 20260919, + "weights_sha256": "c0af89eafe340139", + "n_parameters": 6641408, + "task": "subcellular_localization", + "date": "2026-09-20 05:04", + "seconds": 45.3, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 512, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 511, + "max_abs": 3.4870450496673584 + }, + "input_audit": { + "rel_change_jitter_1A": 0.05966170943530161, + "rel_change_coord_swap": 0.0903857713791805, + "rel_change_seq_shuffle": 0.2058370455057908, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/gearnet_pretrained/ids_test.txt b/extract/embeddings/subcellular_localization/gearnet_pretrained/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/gearnet_pretrained/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 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+Q09868 diff --git a/extract/embeddings/subcellular_localization/gearnet_pretrained/meta.json b/extract/embeddings/subcellular_localization/gearnet_pretrained/meta.json new file mode 100644 index 0000000000000000000000000000000000000000..2ea9654309ebac56efa13518fcbe05872b4f3a06 --- /dev/null +++ b/extract/embeddings/subcellular_localization/gearnet_pretrained/meta.json @@ -0,0 +1,41 @@ +{ + "encoder": "gearnet_pretrained", + "family": "registry", + "target": "gearnet_pretrained", + "weights": "pretrained", + "rule": "final invariant node states of the wrapper, masked mean over valid residues", + "env": "base", + "checkpoint": "checkpoints/gearnet/mc_gearnet_edge.pth", + "checkpoint_sha256": "6dc11e2db6eff3c9", + "checkpoint_loaded_by": "wrapper load_pretrained()", + "weights_sha256": "9eaaa8a2c8a79a37", + "n_parameters": 20145635, + "task": "subcellular_localization", + "date": "2026-09-20 06:18", + "seconds": 4171.9, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 512, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 512, + "max_abs": 1107.975830078125 + }, + "input_audit": { + "rel_change_jitter_1A": 0.6126985494110313, + "rel_change_coord_swap": 0.8348704088209604, + "rel_change_seq_shuffle": 0.9662572724866123, + "rel_change_rigid_motion": 1.2232036816523465e-07, + "verdict": "pass" + } +} diff --git a/extract/embeddings/subcellular_localization/ipa/ids_test.txt b/extract/embeddings/subcellular_localization/ipa/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ 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all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 127, + "max_abs": 1.567211627960205 + }, + "input_audit": { + "rel_change_jitter_1A": 0.12257404373741311, + "rel_change_coord_swap": 0.05155513016107964, + "rel_change_seq_shuffle": 0.0797983617810485, + "rel_change_rigid_motion": 3.31945237267748e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/ipa_pretrained/ids_test.txt b/extract/embeddings/subcellular_localization/ipa_pretrained/ids_test.txt new file mode 100644 index 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a/extract/embeddings/subcellular_localization/ipa_pretrained/ids_valid.txt b/extract/embeddings/subcellular_localization/ipa_pretrained/ids_valid.txt new file mode 100644 index 0000000000000000000000000000000000000000..d3e555ebf7179bfae258726eeb048681f54a0958 --- /dev/null +++ b/extract/embeddings/subcellular_localization/ipa_pretrained/ids_valid.txt @@ -0,0 +1,1500 @@ +P43606 +O74742 +P22108 +Q96CW1 +Q9JKY0 +Q9UEE5 +Q3TBL6 +O74401 +Q8VYS2 +D4ABL6 +Q80UP3 +Q22453 +Q9FKB3 +Q9EP80 +Q8GUI6 +Q9NX08 +Q9D1E6 +F4JCU0 +P38806 +Q9SZL6 +Q6PE84 +Q12473 +P11167 +A9Q751 +P56706 +Q9U6M1 +P41698 +P32500 +J3SBP3 +O96621 +Q5H8A5 +P22987 +Q8H1B3 +P34540 +A2BE28 +Q12438 +P38783 +Q9FI73 +B0F481 +P40154 +P85970 +P32525 +P25675 +Q9Y7J2 +Q6NLC1 +Q9UUH6 +Q6PII3 +Q9XIM0 +D4AYG1 +P86095 +P01421 +Q9XE33 +B9G5N1 +P40389 +Q32SG6 +Q80WM9 +P29060 +Q98867 +O22130 +D0PX85 +A0A125S9E5 +P01420 +Q13574 +Q10321 +P15382 +Q8T5C6 +A8MPH9 +Q5I7G2 +Q6UPR8 +Q15738 +O14965 +P01014 +Q8C006 +O14182 +O74461 +P25574 +Q0JQF7 +Q5N829 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input in canonical pose", + "env": "base", + "checkpoint": "checkpoints/ipa_pretrained/best.pt", + "checkpoint_sha256": "cd4ca8e7f61daba2", + "checkpoint_loaded_by": "strict load of 'encoder_state': 95 of 95 tensors", + "weights_sha256": "d858a2f47e2041f3", + "n_parameters": 648016, + "task": "subcellular_localization", + "date": "2026-09-20 05:10", + "seconds": 27.4, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 128, + "max_abs": 0.9746413826942444 + }, + "input_audit": { + "rel_change_jitter_1A": 0.35788751735660557, + "rel_change_coord_swap": 0.3508906219834083, + "rel_change_seq_shuffle": 0.22938644958192494, + "rel_change_rigid_motion": 4.454701839092521e-06, + "verdict": "pass" + } +} diff --git a/extract/embeddings/subcellular_localization/pottsmpnn/ids_test.txt b/extract/embeddings/subcellular_localization/pottsmpnn/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/pottsmpnn/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 +Q04964 +Q12049 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"pottsmpnn", + "weights": "random", + "rule": "encoder h_V after 3 layers, masked mean", + "env": "base", + "seed": 20260919, + "weights_sha256": "fd9636d73a1e9994", + "n_parameters": 1712085, + "task": "subcellular_localization", + "date": "2026-09-20 05:06", + "seconds": 43.2, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 127, + "max_abs": 3.3215062618255615 + }, + "input_audit": { + "rel_change_jitter_1A": 0.07189607480629943, + "rel_change_coord_swap": 0.06452992568345384, + "rel_change_seq_shuffle": 0.0, + "rel_change_rigid_motion": 1.150863828075338e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/pottsmpnn_pretrained/ids_test.txt b/extract/embeddings/subcellular_localization/pottsmpnn_pretrained/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/pottsmpnn_pretrained/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 +Q04964 +Q12049 +Q9GS00 +P48566 +Q8W104 +Q96T68 +Q9P785 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"pottsmpnn_pretrained", + "family": "registry", + "target": "pottsmpnn_pretrained", + "weights": "pretrained", + "rule": "encoder h_V, masked mean", + "env": "base", + "weights_sha256": "1cfd2bd3bed04f09", + "n_parameters": 1712085, + "task": "subcellular_localization", + "date": "2026-09-20 05:07", + "seconds": 43.2, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 127, + "max_abs": 3.322645664215088 + }, + "input_audit": { + "rel_change_jitter_1A": 0.6454550569687352, + "rel_change_coord_swap": 0.12076814557594767, + "rel_change_seq_shuffle": 0.0, + "rel_change_rigid_motion": 1.1436842851380084e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/pottsmpnn_soluble/ids_test.txt b/extract/embeddings/subcellular_localization/pottsmpnn_soluble/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/pottsmpnn_soluble/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 +Q04964 +Q12049 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"encoder": "pottsmpnn_soluble", + "family": "registry", + "target": "pottsmpnn_soluble_pretrained", + "weights": "pretrained", + "rule": "encoder h_V, masked mean", + "env": "base", + "weights_sha256": "31f0aac7f4cefa1a", + "n_parameters": 1712085, + "task": "subcellular_localization", + "date": "2026-09-20 05:08", + "seconds": 43.4, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 127, + "max_abs": 2.0122992992401123 + }, + "input_audit": { + "rel_change_jitter_1A": 0.6675711994212048, + "rel_change_coord_swap": 0.17917227338286784, + "rel_change_seq_shuffle": 0.0, + "rel_change_rigid_motion": 1.4140547445011483e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/prostt5/ids_test.txt b/extract/embeddings/subcellular_localization/prostt5/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/prostt5/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 +Q04964 +Q12049 +Q9GS00 +P48566 +Q8W104 +Q96T68 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residue states, special tokens removed, masked mean over valid residues; amino-acid track with the prefix, no 3Di input", + "env": "base", + "checkpoint": "Rostlab/ProstT5", + "checkpoint_revision": "d7d097d5bf9a993ab8f68488b4681d6ca70db9e5", + "dtype": "float16", + "hidden_size": 1024, + "n_layers": 24, + "n_parameters": 1208164352, + "inputs_passed": "amino-acid sequence only", + "task": "subcellular_localization", + "date": "2026-09-20 05:03", + "seconds": 220.4, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 1024, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 1024, + "max_abs": 1.32839834690094 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.5110924480134234, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/protbert_bfd/ids_test.txt b/extract/embeddings/subcellular_localization/protbert_bfd/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/protbert_bfd/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 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b/extract/embeddings/subcellular_localization/protbert_bfd/meta.json @@ -0,0 +1,43 @@ +{ + "encoder": "protbert_bfd", + "family": "hf_plm", + "target": "Rostlab/prot_bert_bfd", + "weights": "pretrained", + "rule": "final residue states, special tokens removed, masked mean over valid residues", + "env": "base", + "checkpoint": "Rostlab/prot_bert_bfd", + "checkpoint_revision": "6c5c8a55a52ff08a664dfd584aa1773f125a0487", + "dtype": "float32", + "hidden_size": 1024, + "n_layers": 30, + "n_parameters": 418881536, + "inputs_passed": "amino-acid sequence only", + "task": "subcellular_localization", + "date": "2026-09-20 04:47", + "seconds": 146.0, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 1024, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 1023, + "max_abs": 2.247859477996826 + }, + "input_audit": { + "rel_change_jitter_1A": 0.0, + "rel_change_coord_swap": 0.0, + "rel_change_seq_shuffle": 0.4072423163663681, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/proteinmpnn/ids_test.txt b/extract/embeddings/subcellular_localization/proteinmpnn/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/proteinmpnn/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 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b/extract/embeddings/subcellular_localization/proteinmpnn/meta.json new file mode 100644 index 0000000000000000000000000000000000000000..3d87c594d443b1828acc3b1400345985be5b4633 --- /dev/null +++ b/extract/embeddings/subcellular_localization/proteinmpnn/meta.json @@ -0,0 +1,41 @@ +{ + "encoder": "proteinmpnn", + "family": "registry", + "target": "proteinmpnn_pretrained", + "weights": "pretrained", + "rule": "encoder h_V after 3 encoder layers, before the decoder", + "env": "base", + "checkpoint": "checkpoints/proteinmpnn_v48_020.pt", + "checkpoint_sha256": "c9cb4a671d796041", + "checkpoint_loaded_by": "wrapper load_pretrained()", + "weights_sha256": "01d6f9d31117f274", + "n_parameters": 1660485, + "task": "subcellular_localization", + "date": "2026-09-20 05:07", + "seconds": 38.6, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 127, + "max_abs": 2.2541322708129883 + }, + "input_audit": { + "rel_change_jitter_1A": 0.2876636765789369, + "rel_change_coord_swap": 0.1046977269374211, + "rel_change_seq_shuffle": 0.0, + "rel_change_rigid_motion": 1.6183316549153264e-07, + "verdict": "pass" + } +} diff --git a/extract/embeddings/subcellular_localization/ref_composition/ids_test.txt b/extract/embeddings/subcellular_localization/ref_composition/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/ref_composition/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 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"checkpoint": "westlake-repl/SaProt_650M_AF2", + "checkpoint_revision": "d9b9ad00ef61c0990e611b2b43f2231c7de24b38", + "n_parameters": 651242901, + "inputs_passed": "amino-acid track: real sequence; 3Di track: real tokens from mini3di on the structure; no pLDDT masking", + "patch": "patched/saprot_hf.py", + "task": "subcellular_localization", + "date": "2026-09-20 05:34", + "seconds": 454.5, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 1280, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 1279, + "max_abs": 1.595617651939392 + }, + "input_audit": { + "rel_change_jitter_1A": 0.8705030813272382, + "rel_change_coord_swap": 0.4102216970171252, + "rel_change_seq_shuffle": 0.8413755808217256, + "rel_change_rigid_motion": 0.0, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/schnet/ids_test.txt b/extract/embeddings/subcellular_localization/schnet/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/schnet/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 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"weights": "random", + "rule": "final invariant node states of the wrapper, masked mean over valid residues", + "env": "base", + "seed": 20260919, + "weights_sha256": "a554781da0916f60", + "n_parameters": 244480, + "task": "subcellular_localization", + "date": "2026-09-20 05:01", + "seconds": 64.8, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 127, + "max_abs": 1.3691208362579346 + }, + "input_audit": { + "rel_change_jitter_1A": 0.024272346150889114, + "rel_change_coord_swap": 0.04067997024144254, + "rel_change_seq_shuffle": 0.0926744111105295, + "rel_change_rigid_motion": 1.4309623780125316e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/tfn/ids_test.txt b/extract/embeddings/subcellular_localization/tfn/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/tfn/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 +Q04964 +Q12049 +Q9GS00 +P48566 +Q8W104 +Q96T68 +Q9P785 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valid residues", + "env": "base", + "seed": 20260919, + "weights_sha256": "b07ce6d9887ef8db", + "n_parameters": 250880, + "task": "subcellular_localization", + "date": "2026-09-20 05:02", + "seconds": 103.7, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 127, + "max_abs": 3.697178840637207 + }, + "input_audit": { + "rel_change_jitter_1A": 0.035918465297843816, + "rel_change_coord_swap": 0.08890221178385639, + "rel_change_seq_shuffle": 0.15717389464953313, + "rel_change_rigid_motion": 1.0772144824293731e-07, + "verdict": "pass" + } +} \ No newline at end of file diff --git a/extract/embeddings/subcellular_localization/tfn_pretrained/ids_test.txt b/extract/embeddings/subcellular_localization/tfn_pretrained/ids_test.txt new file mode 100644 index 0000000000000000000000000000000000000000..6d32ab23ef3c81176bdd4f24f276b62fb65f254a --- /dev/null +++ b/extract/embeddings/subcellular_localization/tfn_pretrained/ids_test.txt @@ -0,0 +1,2473 @@ +P38854 +P53331 +Q84K96 +Q9H840 +Q8N5Z5 +Q9H3T3 +Q5VVY1 +Q9ZQC5 +Q9C9Q4 +P32626 +P31166 +P82163 +Q9Z2A5 +O94259 +P39008 +Q96P44 +Q06139 +M4BMH6 +Q96RD7 +Q9LU10 +Q18685 +O42953 +Q9ULZ0 +O95210 +P13666 +Q6PCD5 +O82413 +Q9UBB5 +Q9LUT0 +Q9H9V9 +P0C7M3 +O15504 +P0CX23 +H2KZM9 +F6YCR7 +O74822 +Q12239 +Q3E769 +Q18579 +Q92611 +Q22560 +P14844 +G5EBX9 +Q9H147 +P06101 +O82279 +Q08968 +O13674 +B2RUZ4 +Q99278 +Q05040 +Q9XZ14 +D2K8N5 +Q9FK13 +A9UHW6 +Q12216 +Q9H0G5 +Q96MB7 +Q60855 +Q86XJ1 +Q9C9N6 +Q04964 +Q12049 +Q9GS00 +P48566 +Q8W104 +Q96T68 +Q9P785 +Q9NZD8 +Q9P375 +P41220 +Q9JHH9 +Q96JN0 +Q15024 +O42996 +Q9UST3 +Q336N8 +Q9WUS4 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invariant node states of the wrapper, masked mean over valid residues", + "env": "base", + "checkpoint": "checkpoints/tfn_pretrained/best.pt", + "checkpoint_sha256": "17af58de61a4674c", + "checkpoint_loaded_by": "strict load of 'encoder_state': 39 of 39 tensors", + "weights_sha256": "a7afc00e258bf380", + "n_parameters": 250880, + "task": "subcellular_localization", + "date": "2026-09-20 05:09", + "seconds": 24.6, + "pooling": "masked mean over all residues of the chain", + "manifest": "manifest/subcellular_localization.csv", + "rows": "stage1 == 1", + "structure_coverage": "every row has a structure file whose sequence equals the task sequence (see manifest/coverage.csv)", + "n_per_split": { + "test": 2473, + "train": 6000, + "valid": 1500 + }, + "health": { + "n_rows": 9973, + "dim": 128, + "nan_values": 0, + "all_zero_rows": 0, + "distinct_rows": 9973, + "numerical_rank": 107, + "max_abs": 1.805875301361084 + }, + "input_audit": { + "rel_change_jitter_1A": 0.038222533247724046, + "rel_change_coord_swap": 0.0726356100068006, + "rel_change_seq_shuffle": 0.2809558822048089, + "rel_change_rigid_motion": 9.074813202694072e-08, + "verdict": "pass" + } +}