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TREAT-2

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TREAT-2
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{
    "tasks": {
        "regression_task": true,
        "classification_task": null,
        "mclassification_task": null
    },
    "optimizer": {
        "lrate": 0.0001,
        "weight_decay": 0.0001,
        "clip": 1,
        "betas": [
            0.9,
            0.999
        ],
        "eps": 1e-08,
        "schedule_lr": false,
        "min_lrate": 0,
        "warmup_iters": 0,
        "lr_decay_iters": 0,
        "amsgrad": false
    },
    "params": {
        "mol_in_channels": 43,
        "prot_in_channels": 33,
        "prot_evo_channels": 1280,
        "hidden_channels": 200,
        "aggregators": [
            "mean",
            "min",
            "max",
            "std"
        ],
        "scalers": [
            "identity",
            "amplification",
            "linear"
        ],
        "pre_layers": 2,
        "post_layers": 1,
        "total_layer": 3,
        "K": [
            5,
            10,
            20
        ],
        "dropout": 0,
        "dropout_attn_score": 0.2,
        "heads": 5
    }
}