Add files using upload-large-folder tool
Browse files- probing_embeddings/dimenet/meta.json +33 -0
- probing_embeddings/esm2_150m/meta.json +21 -0
- probing_embeddings/esm2_650m/meta.json +21 -0
- probing_embeddings/esm3/meta.json +35 -0
- probing_embeddings/esm_if1/meta.json +32 -0
- probing_embeddings/foldseek_3di/meta.json +34 -0
- probing_embeddings/foldvision/meta.json +37 -0
- probing_embeddings/gearnet/meta.json +33 -0
- probing_embeddings/gearnet_pretrained/meta.json +35 -0
- probing_embeddings/pottsmpnn/meta.json +33 -0
- probing_embeddings/prostt5/meta.json +37 -0
- probing_embeddings/tfn/meta.json +33 -0
probing_embeddings/dimenet/meta.json
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{
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"encoder": "dimenet",
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"family": "registry",
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"target": "dimenet",
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"weights": "random",
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"rule": "final invariant node states of the wrapper, masked mean over valid residues",
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"env": "base",
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| 8 |
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"seed": 20260919,
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| 9 |
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"weights_sha256": "71e5f811f644cdf2",
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| 10 |
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"n_parameters": 362752,
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| 11 |
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"dataset": "protcompass/probing_data/labels.h5",
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"date": "2026-09-19 18:28",
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| 13 |
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"seconds": 137.7,
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| 14 |
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"n_domains": 19461,
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"dim": 128,
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| 16 |
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"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
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"health": {
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"n_rows": 19461,
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"dim": 128,
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"nan_values": 0,
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"all_zero_rows": 0,
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"distinct_rows": 19461,
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"numerical_rank": 127,
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"max_abs": 1.5985742807388306
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},
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"input_audit": {
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"rel_change_jitter_1A": 0.003207840710392017,
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| 28 |
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"rel_change_coord_swap": 0.009590959649099891,
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| 29 |
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"rel_change_seq_shuffle": 0.009093385624523886,
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"rel_change_rigid_motion": 1.2348123625554317e-07,
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"verdict": "pass"
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}
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}
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probing_embeddings/esm2_150m/meta.json
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{
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"encoder": "esm2_150m",
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"hub_id": "facebook/esm2_t30_150M_UR50D",
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"revision": "a695f6045e2e32885fa60af20c13cb35398ce30c",
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"layer": "final hidden state",
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"special_tokens": "removed",
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"dim": 640,
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"n_domains": 19461,
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"n_residues": 2823525,
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"dtype_compute": "torch.float16",
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"dtype_stored": "float16",
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"max_abs_value": 8.1796875,
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"fp16_overflow": false,
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"nonfinite_in_first_200k_rows": 0,
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"distinct_pooled_rows": 19461,
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| 16 |
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"median_rel_change_under_sequence_shuffle": 0.4776652794414229,
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| 17 |
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"input": "sequence of the residues kept in labels.h5; discontinuous CATH domains are passed as one concatenated sequence",
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| 18 |
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"rows": "identical to residue/* rows of probing_data/labels.h5",
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| 19 |
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"seconds": 73.8,
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| 20 |
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"date": "2026-09-19"
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}
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probing_embeddings/esm2_650m/meta.json
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{
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"encoder": "esm2_650m",
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"hub_id": "facebook/esm2_t33_650M_UR50D",
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"revision": "08e4846e537177426273712802403f7ba8261b6c",
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"layer": "final hidden state",
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"special_tokens": "removed",
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"dim": 1280,
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| 8 |
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"n_domains": 19461,
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| 9 |
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"n_residues": 2823525,
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"dtype_compute": "torch.float16",
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"dtype_stored": "float16",
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| 12 |
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"max_abs_value": 9.3828125,
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| 13 |
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"fp16_overflow": false,
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| 14 |
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"nonfinite_in_first_200k_rows": 0,
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| 15 |
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"distinct_pooled_rows": 19461,
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| 16 |
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"median_rel_change_under_sequence_shuffle": 0.7110133306398277,
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| 17 |
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"input": "sequence of the residues kept in labels.h5; discontinuous CATH domains are passed as one concatenated sequence",
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| 18 |
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"rows": "identical to residue/* rows of probing_data/labels.h5",
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| 19 |
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"seconds": 133.3,
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| 20 |
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"date": "2026-09-19"
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}
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probing_embeddings/esm3/meta.json
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{
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"encoder": "esm3",
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"family": "patched",
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"target": "esm3_inproc",
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| 5 |
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"weights": "pretrained",
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"rule": "final trunk residue embeddings, sequence and structure tracks",
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"env": "base",
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"checkpoint": "esm3-sm-open-v1/data/weights/esm3_sm_open_v1.pth",
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| 9 |
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"dtype": "bfloat16",
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"n_parameters": 1401735748,
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| 11 |
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"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",
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"patch": "patched/esm3_inproc.py",
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| 13 |
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"dataset": "protcompass/probing_data/labels.h5",
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| 14 |
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"date": "2026-09-19 19:41",
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| 15 |
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"seconds": 1112.1,
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| 16 |
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"n_domains": 19461,
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| 17 |
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"dim": 1536,
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| 18 |
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"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
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| 19 |
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"health": {
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| 20 |
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"n_rows": 19461,
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| 21 |
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"dim": 1536,
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| 22 |
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"nan_values": 0,
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| 23 |
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"all_zero_rows": 0,
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| 24 |
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"distinct_rows": 19461,
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| 25 |
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"numerical_rank": 1536,
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| 26 |
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"max_abs": 9524.5126953125
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| 27 |
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},
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| 28 |
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"input_audit": {
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| 29 |
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"rel_change_jitter_1A": 0.509009407826544,
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| 30 |
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"rel_change_coord_swap": 0.4000935921683898,
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| 31 |
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"rel_change_seq_shuffle": 0.35550636124077734,
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| 32 |
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"rel_change_rigid_motion": 0.0018285819013779668,
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| 33 |
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"verdict": "pass"
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| 34 |
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}
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| 35 |
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}
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probing_embeddings/esm_if1/meta.json
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{
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"encoder": "esm_if1",
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| 3 |
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"family": "registry",
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| 4 |
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"target": "esm_if",
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| 5 |
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"weights": "pretrained",
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| 6 |
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"rule": "GVP-Transformer encoder output before decoding",
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| 7 |
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"env": "base",
|
| 8 |
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"weights_sha256": "0edb76de890a0108",
|
| 9 |
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"n_parameters": 141662150,
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| 10 |
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"dataset": "protcompass/probing_data/labels.h5",
|
| 11 |
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"date": "2026-09-19 18:26",
|
| 12 |
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"seconds": 454.2,
|
| 13 |
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"n_domains": 19461,
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| 14 |
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"dim": 512,
|
| 15 |
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"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
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| 16 |
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"health": {
|
| 17 |
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"n_rows": 19461,
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| 18 |
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"dim": 512,
|
| 19 |
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"nan_values": 0,
|
| 20 |
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"all_zero_rows": 0,
|
| 21 |
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"distinct_rows": 19461,
|
| 22 |
+
"numerical_rank": 511,
|
| 23 |
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"max_abs": 1.2823021411895752
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| 24 |
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},
|
| 25 |
+
"input_audit": {
|
| 26 |
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"rel_change_jitter_1A": 2.1570314094846834,
|
| 27 |
+
"rel_change_coord_swap": 0.7743801837771538,
|
| 28 |
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"rel_change_seq_shuffle": 4.3424380594273e-07,
|
| 29 |
+
"rel_change_rigid_motion": 9.534036874515975e-05,
|
| 30 |
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"verdict": "pass"
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| 31 |
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}
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| 32 |
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}
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probing_embeddings/foldseek_3di/meta.json
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{
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"encoder": "foldseek_3di",
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| 3 |
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"family": "patched",
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| 4 |
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"target": "foldseek_3di",
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| 5 |
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"weights": "pretrained",
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| 6 |
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"rule": "one-hot 3Di state per residue; protein level is the state frequency",
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| 7 |
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"env": "base",
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| 8 |
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"tool": "mini3di 0.2.1",
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| 9 |
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"inputs_passed": "N, CA, C, CB coordinates",
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| 10 |
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"n_parameters": 0,
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| 11 |
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"patch": "patched/foldseek_3di.py",
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| 12 |
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"dataset": "protcompass/probing_data/labels.h5",
|
| 13 |
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"date": "2026-09-19 18:50",
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| 14 |
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"seconds": 123.9,
|
| 15 |
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"n_domains": 19461,
|
| 16 |
+
"dim": 20,
|
| 17 |
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"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
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| 18 |
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"health": {
|
| 19 |
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"n_rows": 19461,
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| 20 |
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"dim": 20,
|
| 21 |
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"nan_values": 0,
|
| 22 |
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"all_zero_rows": 0,
|
| 23 |
+
"distinct_rows": 19449,
|
| 24 |
+
"numerical_rank": 19,
|
| 25 |
+
"max_abs": 0.9852941036224365
|
| 26 |
+
},
|
| 27 |
+
"input_audit": {
|
| 28 |
+
"rel_change_jitter_1A": 0.5357915293141494,
|
| 29 |
+
"rel_change_coord_swap": 0.6654983190984456,
|
| 30 |
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"rel_change_seq_shuffle": 0.0,
|
| 31 |
+
"rel_change_rigid_motion": 0.0,
|
| 32 |
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"verdict": "pass"
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| 33 |
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}
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| 34 |
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}
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probing_embeddings/foldvision/meta.json
ADDED
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{
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| 2 |
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"encoder": "foldvision",
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| 3 |
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"family": "patched",
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| 4 |
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"target": "foldvision_global",
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| 5 |
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"weights": "pretrained",
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| 6 |
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"rule": "native FoldVisionEncoder.encode global embedding; no residue states",
|
| 7 |
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"env": "base",
|
| 8 |
+
"checkpoint": "AlexanderKroll/foldvision-encoder",
|
| 9 |
+
"n_parameters": 122226304,
|
| 10 |
+
"inputs_passed": "the structure file as given (all atoms present in it), voxelised by FoldVision's own preprocessing",
|
| 11 |
+
"patch": "patched/foldvision_global.py",
|
| 12 |
+
"residue_level": false,
|
| 13 |
+
"pose": "principal-axis pose with fixed axis signs, applied to the structure file before voxelisation",
|
| 14 |
+
"dataset": "protcompass/probing_data/labels.h5",
|
| 15 |
+
"date": "2026-09-19 19:49",
|
| 16 |
+
"seconds": 2770.2,
|
| 17 |
+
"n_domains": 19461,
|
| 18 |
+
"dim": 1024,
|
| 19 |
+
"pooled_only": true,
|
| 20 |
+
"row_convention": "row r of pooled_fp32.npy is row r of protein/* in labels.h5; no residue states, so only the protein-level probes apply",
|
| 21 |
+
"health": {
|
| 22 |
+
"n_rows": 19461,
|
| 23 |
+
"dim": 1024,
|
| 24 |
+
"nan_values": 0,
|
| 25 |
+
"all_zero_rows": 0,
|
| 26 |
+
"distinct_rows": 19461,
|
| 27 |
+
"numerical_rank": 1024,
|
| 28 |
+
"max_abs": 4.3460259437561035
|
| 29 |
+
},
|
| 30 |
+
"input_audit": {
|
| 31 |
+
"rel_change_jitter_1A": 0.9419383406639099,
|
| 32 |
+
"rel_change_coord_swap": 0.2384798899292946,
|
| 33 |
+
"rel_change_seq_shuffle": 0.021775792352855206,
|
| 34 |
+
"rel_change_rigid_motion": 0.0003848234919132665,
|
| 35 |
+
"verdict": "pass"
|
| 36 |
+
}
|
| 37 |
+
}
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probing_embeddings/gearnet/meta.json
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{
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| 2 |
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"encoder": "gearnet",
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| 3 |
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"family": "registry",
|
| 4 |
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"target": "gearnet",
|
| 5 |
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"weights": "random",
|
| 6 |
+
"rule": "final invariant node states of the wrapper, masked mean over valid residues",
|
| 7 |
+
"env": "base",
|
| 8 |
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"seed": 20260919,
|
| 9 |
+
"weights_sha256": "c0af89eafe340139",
|
| 10 |
+
"n_parameters": 6641408,
|
| 11 |
+
"dataset": "protcompass/probing_data/labels.h5",
|
| 12 |
+
"date": "2026-09-19 18:34",
|
| 13 |
+
"seconds": 198.3,
|
| 14 |
+
"n_domains": 19461,
|
| 15 |
+
"dim": 512,
|
| 16 |
+
"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
|
| 17 |
+
"health": {
|
| 18 |
+
"n_rows": 19461,
|
| 19 |
+
"dim": 512,
|
| 20 |
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|
| 21 |
+
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|
| 22 |
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|
| 23 |
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|
| 24 |
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| 25 |
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},
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| 26 |
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|
| 27 |
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"rel_change_jitter_1A": 0.06292807367871099,
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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"verdict": "pass"
|
| 32 |
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}
|
| 33 |
+
}
|
probing_embeddings/gearnet_pretrained/meta.json
ADDED
|
@@ -0,0 +1,35 @@
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"encoder": "gearnet_pretrained",
|
| 3 |
+
"family": "registry",
|
| 4 |
+
"target": "gearnet_pretrained",
|
| 5 |
+
"weights": "pretrained",
|
| 6 |
+
"rule": "final invariant node states of the wrapper, masked mean over valid residues",
|
| 7 |
+
"env": "base",
|
| 8 |
+
"checkpoint": "checkpoints/gearnet/mc_gearnet_edge.pth",
|
| 9 |
+
"checkpoint_sha256": "6dc11e2db6eff3c9",
|
| 10 |
+
"checkpoint_loaded_by": "wrapper load_pretrained()",
|
| 11 |
+
"weights_sha256": "9eaaa8a2c8a79a37",
|
| 12 |
+
"n_parameters": 20145635,
|
| 13 |
+
"dataset": "protcompass/probing_data/labels.h5",
|
| 14 |
+
"date": "2026-09-19 20:40",
|
| 15 |
+
"seconds": 2946.9,
|
| 16 |
+
"n_domains": 19461,
|
| 17 |
+
"dim": 512,
|
| 18 |
+
"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
|
| 19 |
+
"health": {
|
| 20 |
+
"n_rows": 19461,
|
| 21 |
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"dim": 512,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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},
|
| 28 |
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|
| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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"verdict": "pass"
|
| 34 |
+
}
|
| 35 |
+
}
|
probing_embeddings/pottsmpnn/meta.json
ADDED
|
@@ -0,0 +1,33 @@
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|
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|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"encoder": "pottsmpnn",
|
| 3 |
+
"family": "registry",
|
| 4 |
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"target": "pottsmpnn",
|
| 5 |
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"weights": "random",
|
| 6 |
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"rule": "encoder h_V after 3 layers, masked mean",
|
| 7 |
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|
| 8 |
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"seed": 20260919,
|
| 9 |
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"weights_sha256": "fd9636d73a1e9994",
|
| 10 |
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"n_parameters": 1712085,
|
| 11 |
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"dataset": "protcompass/probing_data/labels.h5",
|
| 12 |
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"date": "2026-09-19 18:44",
|
| 13 |
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"seconds": 189.5,
|
| 14 |
+
"n_domains": 19461,
|
| 15 |
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"dim": 128,
|
| 16 |
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"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
|
| 17 |
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"health": {
|
| 18 |
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"n_rows": 19461,
|
| 19 |
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"dim": 128,
|
| 20 |
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|
| 21 |
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| 22 |
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|
| 23 |
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|
| 24 |
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| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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| 30 |
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| 31 |
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|
| 32 |
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}
|
| 33 |
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|
probing_embeddings/prostt5/meta.json
ADDED
|
@@ -0,0 +1,37 @@
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|
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|
|
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|
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|
|
|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"encoder": "prostt5",
|
| 3 |
+
"family": "hf_plm",
|
| 4 |
+
"target": "Rostlab/ProstT5",
|
| 5 |
+
"weights": "pretrained",
|
| 6 |
+
"rule": "final residue states, special tokens removed, masked mean over valid residues; amino-acid track with the <AA2fold> prefix, no 3Di input",
|
| 7 |
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"env": "base",
|
| 8 |
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"checkpoint": "Rostlab/ProstT5",
|
| 9 |
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|
| 10 |
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"dtype": "float16",
|
| 11 |
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"hidden_size": 1024,
|
| 12 |
+
"n_layers": 24,
|
| 13 |
+
"n_parameters": 1208164352,
|
| 14 |
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"inputs_passed": "amino-acid sequence only",
|
| 15 |
+
"dataset": "protcompass/probing_data/labels.h5",
|
| 16 |
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"date": "2026-09-19 19:53",
|
| 17 |
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"seconds": 147.0,
|
| 18 |
+
"n_domains": 19461,
|
| 19 |
+
"dim": 1024,
|
| 20 |
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"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
|
| 21 |
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"health": {
|
| 22 |
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"n_rows": 19461,
|
| 23 |
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"dim": 1024,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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| 29 |
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},
|
| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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|
| 35 |
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"verdict": "pass"
|
| 36 |
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}
|
| 37 |
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}
|
probing_embeddings/tfn/meta.json
ADDED
|
@@ -0,0 +1,33 @@
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|
|
|
|
|
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|
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|
|
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|
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|
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|
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|
|
|
|
| 1 |
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{
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| 2 |
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"encoder": "tfn",
|
| 3 |
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"family": "registry",
|
| 4 |
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"target": "tfn",
|
| 5 |
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"weights": "random",
|
| 6 |
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"rule": "final invariant node states of the wrapper, masked mean over valid residues",
|
| 7 |
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|
| 8 |
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| 9 |
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"weights_sha256": "b07ce6d9887ef8db",
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| 10 |
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| 11 |
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"dataset": "protcompass/probing_data/labels.h5",
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| 12 |
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|
| 13 |
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"seconds": 219.3,
|
| 14 |
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|
| 15 |
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"dim": 128,
|
| 16 |
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"row_convention": "row r of residue_fp16.npy is row r of residue/* in labels.h5",
|
| 17 |
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"health": {
|
| 18 |
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| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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|
| 23 |
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|
| 24 |
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| 26 |
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|
| 31 |
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|
| 32 |
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}
|
| 33 |
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}
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