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PolyBind

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PolyBind
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{
    "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
    }
}