| { | |
| "data": { | |
| "context_length": 256, | |
| "central_modality": "psmiles", | |
| "modalities": [ | |
| "bigsmiles", | |
| "polymer_name" | |
| ], | |
| "batch_size": 512, | |
| "num_workers": 1, | |
| "fraction_data": 1.0, | |
| "valid_frac": 0.05, | |
| "seed": 42 | |
| }, | |
| "model": { | |
| "embedding_size": 256, | |
| "encoders": { | |
| "bigsmiles": { | |
| "pretrained": true, | |
| "freeze_encoder": true | |
| }, | |
| "psmiles": { | |
| "pretrained": true, | |
| "freeze_encoder": true | |
| }, | |
| "polymer_name": { | |
| "pretrained": true, | |
| "freeze_encoder": true | |
| } | |
| }, | |
| "projection_heads": { | |
| "bigsmiles_is_on": true, | |
| "psmiles_is_on": true, | |
| "polymer_name_is_on": true, | |
| "bigsmiles_freeze": false, | |
| "psmiles_freeze": false, | |
| "polymer_name_freeze": false, | |
| "bigsmiles": { | |
| "dims": [ | |
| 768, | |
| 256 | |
| ], | |
| "activation": "LeakyReLU" | |
| }, | |
| "psmiles": { | |
| "dims": [ | |
| 768, | |
| 256 | |
| ], | |
| "activation": "LeakyReLU" | |
| }, | |
| "polymer_name": { | |
| "dims": [ | |
| 768, | |
| 256 | |
| ], | |
| "activation": "LeakyReLU" | |
| } | |
| }, | |
| "optimizer": { | |
| "lr": 0.0001, | |
| "weight_decay": 0.0001 | |
| }, | |
| "loss": { | |
| "temperature": 0.07, | |
| "symmetric": true, | |
| "sparse": false | |
| }, | |
| "compile": false | |
| }, | |
| "trainer": { | |
| "gpus_per_node": 1, | |
| "num_nodes": 1 | |
| } | |
| } |