| { |
| "model_type": "molfm-lite", |
| "architectures": ["MolFMLite"], |
| "hidden_dim": 256, |
| "hidden_dim_3d": 128, |
| "num_layers_1d": 4, |
| "num_layers_2d": 4, |
| "num_interactions_3d": 3, |
| "num_conformers": 5, |
| "num_attention_heads": 8, |
| "vocab_size": 128, |
| "max_seq_len": 256, |
| "cutoff_3d": 10.0, |
| "dropout": 0.1, |
| "tasks": { |
| "bbbp": { |
| "type": "classification", |
| "num_classes": 1, |
| "metric": "roc_auc" |
| }, |
| "bace": { |
| "type": "classification", |
| "num_classes": 1, |
| "metric": "roc_auc" |
| }, |
| "tox21": { |
| "type": "classification", |
| "num_classes": 12, |
| "metric": "roc_auc" |
| }, |
| "lipophilicity": { |
| "type": "regression", |
| "num_classes": 1, |
| "metric": "rmse" |
| } |
| } |
| } |
|
|
