Download configs/structure_alignment_config.json from AethronPhantom/NexaMass-V3-Struct: direct link, hf CLI and curl.
- Browser
- Download file 5.36 kB
-
https://huggingface.co/AethronPhantom/NexaMass-V3-Struct/resolve/main/configs/structure_alignment_config.json
- Command line
-
hf download hf://AethronPhantom/NexaMass-V3-Struct/configs/structure_alignment_config.json
-
curl -L -o structure_alignment_config.json https://huggingface.co/AethronPhantom/NexaMass-V3-Struct/resolve/main/configs/structure_alignment_config.json
5.36 kB
| { | |
| "checkpoint": { | |
| "bytes": 160482975, | |
| "config": { | |
| "collision_max": 200.0, | |
| "dropout": 0.1, | |
| "fingerprint_dim": 2048, | |
| "heads": 8, | |
| "layers": 6, | |
| "max_peaks": 256, | |
| "metadata_scale": 0.02, | |
| "model_dim": 384, | |
| "mz_max": 2000.0, | |
| "projection_dim": 192, | |
| "retrieval_mlp_hidden_dim": 512, | |
| "target_projection_dim": 256 | |
| }, | |
| "created_at": "2026-04-13T21:34:38Z", | |
| "file": "weights/NexaMass-V3-Struct.pt", | |
| "metrics_keys": [ | |
| "backbone_lr", | |
| "contrastive_loss", | |
| "covariance_loss", | |
| "covariance_to_contrastive_ratio", | |
| "covariance_weight", | |
| "dataloader_time_sec", | |
| "dataloader_wait_pct_300s", | |
| "dataloader_wait_pct_60s", | |
| "dataloader_wait_pct_900s", | |
| "dataloader_wait_pct_run", | |
| "distributed_rank", | |
| "distributed_world_size", | |
| "effective_batch_size", | |
| "effective_hard_negative_scale", | |
| "effective_retrieval_weight", | |
| "effective_structure_bce_weight", | |
| "embedding_std", | |
| "global_batch_size", | |
| "gpu_active_fraction", | |
| "gpu_count_observed", | |
| "gpu_max_memory_gb", | |
| "gpu_mem_used_mean_gb", | |
| "gpu_mem_util_mean_pct", | |
| "gpu_memory_utilization", | |
| "gpu_snapshot_available", | |
| "gpu_util_max_pct", | |
| "gpu_util_mean_pct", | |
| "gpu_util_min_pct", | |
| "grad_norm", | |
| "local_batch_size", | |
| "lr", | |
| "mfu_estimate", | |
| "msms_objective", | |
| "optimizer_step", | |
| "regularizer_ramp", | |
| "resumed_from_checkpoint", | |
| "retrieval_head_lr", | |
| "samples_per_sec", | |
| "samples_per_sec_300s", | |
| "samples_per_sec_60s", | |
| "samples_per_sec_900s", | |
| "samples_per_sec_run_mean", | |
| "step_time_cv_300s", | |
| "step_time_cv_60s", | |
| "step_time_cv_900s", | |
| "step_time_sec", | |
| "structure_bce_locked", | |
| "structure_bce_loss", | |
| "structure_candidate_count", | |
| "structure_clear_fraction", | |
| "structure_clear_hit_at_1", | |
| "structure_close_fraction", | |
| "structure_close_hit_at_1", | |
| "structure_confidence_bucket_score_mean", | |
| "structure_confidence_bucket_score_mode", | |
| "structure_confidence_candidate_count", | |
| "structure_confidence_clear_threshold", | |
| "structure_confidence_close_threshold", | |
| "structure_confidence_eval_key_mode", | |
| "structure_confidence_separation", | |
| "structure_correct_logit_mean", | |
| "structure_fingerprint_cosine", | |
| "structure_hard_negative_bonus_applied", | |
| "structure_hard_negative_bonus_mean", | |
| "structure_hard_negative_scale", | |
| "structure_head_lr", | |
| "structure_hit_at_1", | |
| "structure_hit_at_20", | |
| "structure_hit_at_5", | |
| "structure_local_ce_loss", | |
| "structure_local_ce_loss_weight", | |
| "structure_local_rerank_loss", | |
| "structure_local_rerank_loss_weight", | |
| "structure_local_rerank_score_scale", | |
| "structure_logit_margin_mean", | |
| "structure_margin_loss", | |
| "structure_margin_loss_weight", | |
| "structure_missing_formula_fraction", | |
| "structure_missing_inchikey_fraction", | |
| "structure_pairwise_logistic_loss", | |
| "structure_pairwise_logistic_loss_weight", | |
| "structure_positive_count_mean", | |
| "structure_post_label_candidate_count", | |
| "structure_post_precursor_candidate_count", | |
| "structure_prefilter_candidate_count", | |
| "structure_retrieval_logit_std", | |
| "structure_retrieval_loss", | |
| "structure_retrieval_scorer", | |
| "structure_retrieval_target_mode", | |
| "structure_skipped_query_fraction", | |
| "structure_soft_target_exact_mix", | |
| "structure_soft_target_loss", | |
| "structure_soft_target_loss_weight", | |
| "structure_target_backend", | |
| "structure_target_equivalent_count_mean", | |
| "structure_target_identity_collision_count", | |
| "structure_target_rank_mean", | |
| "structure_to_ssl_ratio", | |
| "structure_top1_top2_gap_mean", | |
| "structure_top1_top2_gap_norm_mean", | |
| "structure_top_negative_logit_mean", | |
| "structure_uncertain_fraction", | |
| "structure_uncertain_hit_at_1", | |
| "structure_valid_query_fraction", | |
| "train_loss", | |
| "train_loss_ema", | |
| "train_retrieval_bank_size", | |
| "variance_loss", | |
| "variance_weight", | |
| "weighted_covariance_loss", | |
| "weighted_regularizer_to_contrastive_ratio", | |
| "weighted_ssl_loss", | |
| "weighted_structure_bce_loss", | |
| "weighted_structure_retrieval_loss", | |
| "weighted_variance_loss" | |
| ], | |
| "model_state_bytes": 56474172, | |
| "model_state_file": "weights/NexaMass-V3-Struct-model_state.pt", | |
| "param_count": 14106690, | |
| "state_tensors": 103, | |
| "step": 91001 | |
| }, | |
| "dataset": "corrected labeled GeMS handoff surface with enforced molecular labels", | |
| "evaluation_summary": { | |
| "embedding_std": 0.0722, | |
| "gallery_exact_fingerprint_decodes": 11, | |
| "gallery_size": 20, | |
| "massspecgym_test_hit20_adapter": 0.3505, | |
| "validation_fingerprint_cosine": 0.4255, | |
| "validation_structure_bce": 0.0653 | |
| }, | |
| "name": "NexaMass-V3-Struct alignment checkpoint", | |
| "objective_weights": { | |
| "retrieval_local_ce_loss_weight": 0.4, | |
| "retrieval_soft_target_loss_weight": 0.3, | |
| "retrieval_weight": 0.6, | |
| "ssl_preservation_weight": 0.05, | |
| "structure_bce_weight": 1.0 | |
| }, | |
| "parent_checkpoint": "weights/Final_V3-model_state.pt", | |
| "phase": "RDKit Morgan fingerprint structure alignment" | |
| } | |