momu-molt5.json

{
    "model": "MoMu-T5",
    "data": {
        "mol": {
            "modality": ["structure", "text"],
            "featurizer": {
                "structure": {
                    "name": "MultiScale",
                    "scales": ["SMILES", "graph"],
                    "SMILES": {
                        "name": "transformer",
                        "transformer_type": "t5",
                        "model_name_or_path": "./ckpts/text_ckpts/MolT5-base-smiles2caption",
                        "max_length": 512
                    },
                    "graph": {
                        "name": "ogb"
                    }
                },
                "text": {
                    "name": "TransformerTokenizer",
                    "transformer_type": "t5",
                    "max_length": 512,
                    "model_name_or_path": "./ckpts/text_ckpts/MolT5-base-smiles2caption"
                }
            }
        }
    },
    "network": {
        "graph": {
            "name": "momu",
            "gin_hidden_dim": 300,
            "gin_num_layers": 5,
            "drop_ratio": 0.0,
            "graph_pooling": "sum",
            "graph_self": false,
            "max_n_nodes": -1,
            "bert_dropout": 0.0,
            "bert_hidden_dim": 768,
            "output_dim": 300,
            "projection_dim": 256,
            "init_checkpoint": "./ckpts/fusion_ckpts/momu/MoMu-S.ckpt",
            "param_key": "state_dict",
            "stop_grad": false
        },
        "text": {
            "model_name_or_path": "./ckpts/text_ckpts/MolT5-base-smiles2caption",
            "stop_grad": true
        }
    }
}