File size: 4,056 Bytes
f5551d6
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
{
  "schema_version": 1,
  "name": "MHC-PLM core-selected ensemble",
  "repo_id": "zmactep/MHC-PLM",
  "architecture": "ESM-C plus peptide-to-MHC cross-attention and explicit 9-mer MIL",
  "selection_scope": "core-disjoint-fold1",
  "default_members": [
    "stage3",
    "600m",
    "stage4",
    "replica_s3333"
  ],
  "best_single_member": "stage4",
  "aggregation": "arithmetic mean of post-sigmoid member scores",
  "inference_seed": 2026,
  "input_limits": {
    "max_peptide_length": 64,
    "max_context_length": 16,
    "max_mhc_length": 64,
    "max_alleles": 14
  },
  "score_semantics": {
    "ba": "normalized affinity in [0,1], higher is stronger; approximate IC50 nM = 50000^(1-score)",
    "el": "presentation score in [0,1]; not a calibrated clinical probability"
  },
  "model_defaults": {
    "backbone": "hf",
    "backbone_dtype": "bf16",
    "attention_implementation": "sdpa",
    "interaction_dim": 256,
    "interaction_heads": 8,
    "interaction_layers": 2,
    "core_length": 9,
    "allow_reverse": true,
    "dropout": 0.1,
    "lora": true,
    "lora_rank": 16,
    "lora_alpha": 32,
    "lora_dropout": 0.05,
    "gradient_checkpointing": false,
    "backbone_chunk_size": 256,
    "pooling_temperature": 0.15
  },
  "members": [
    {
      "name": "stage3",
      "description": "ESMC-300M main trajectory, stage 3",
      "weight_path": "weights/stage3.safetensors",
      "weight_sha256": "2ef7668d28ac2c451e210624b2f7dd46418790e9feb8c6d830c8ab1f5a640892",
      "weight_size_bytes": 12349296,
      "weight_partial": true,
      "model": {
        "model_name": "biohub/ESMC-300M",
        "model_revision": "a59b831785f907e96e6a246b1d142bfb76df31ee"
      }
    },
    {
      "name": "600m",
      "description": "independent ESMC-600M trajectory",
      "weight_path": "weights/600m.safetensors",
      "weight_sha256": "7e6dda37c80ae11dbe44954f442f0490e16bdb3c1f23aabec2867fed198dedda",
      "weight_size_bytes": 13360248,
      "weight_partial": true,
      "model": {
        "model_name": "biohub/ESMC-600M",
        "model_revision": "a7e82012c83126b9eedb055fea9fa84b6c02f094"
      }
    },
    {
      "name": "stage4",
      "description": "ESMC-300M low-learning-rate stage 4; best individual member",
      "weight_path": "weights/stage4.safetensors",
      "weight_sha256": "8a2efbdebfe10d2a723be25e2e342a5209b546f2ea3fed1dcd73bb599b499493",
      "weight_size_bytes": 12349296,
      "weight_partial": true,
      "model": {
        "model_name": "biohub/ESMC-300M",
        "model_revision": "a59b831785f907e96e6a246b1d142bfb76df31ee"
      }
    },
    {
      "name": "replica_s3333",
      "description": "independent ESMC-300M seed trajectory",
      "weight_path": "weights/replica_s3333.safetensors",
      "weight_sha256": "aedbaf249908fad38fd61643639042ce5a2030da70ac1c3d5cc586cdbe478237",
      "weight_size_bytes": 12349296,
      "weight_partial": true,
      "model": {
        "model_name": "biohub/ESMC-300M",
        "model_revision": "a59b831785f907e96e6a246b1d142bfb76df31ee"
      }
    }
  ],
  "metrics": {
    "core_disjoint": {
      "composite": 0.866341447431238,
      "ba_examples": 12911,
      "ba_auroc_500nm": 0.8795781333432586,
      "ba_average_precision_500nm": 0.8432509682864474,
      "ba_pearson_r": 0.7494314418958933,
      "ba_spearman_r": 0.7513894503510444,
      "ba_mse": 0.027961074615603626,
      "el_examples": 572664,
      "el_positive_fraction": 0.14436039279193315,
      "el_auroc": 0.9633044656226264,
      "el_average_precision": 0.8730517488631739
    },
    "full_fold": {
      "composite": 0.8572583300612281,
      "ba_examples": 21794,
      "ba_auroc_500nm": 0.8881501373829886,
      "ba_average_precision_500nm": 0.8529772425709462,
      "ba_pearson_r": 0.7654025002504102,
      "ba_spearman_r": 0.7655603005570821,
      "ba_mse": 0.028142128247225746,
      "el_examples": 1516156,
      "el_positive_fraction": 0.08164859025060746,
      "el_auroc": 0.9644079925097755,
      "el_average_precision": 0.8110726901017381
    }
  }
}