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  1. config.json +50 -0
  2. degree.pt +3 -0
  3. model.pt +3 -0
config.json ADDED
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+ {
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+ "classification_task": null,
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+ },
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+ "optimizer": {
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+ "weight_decay": 0.0001,
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+ "clip": 1,
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+ "betas": [
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+ "eps": 1e-08,
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+ "schedule_lr": false,
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+ "warmup_iters": 0,
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+ "amsgrad": false
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+ "params": {
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+ "mol_in_channels": 43,
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+ "prot_in_channels": 33,
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+ "hidden_channels": 200,
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+ "aggregators": [
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+ "mean",
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+ "min",
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+ "max",
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+ "std"
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+ ],
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+ "scalers": [
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+ "identity",
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+ "amplification",
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+ "linear"
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+ ],
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+ "pre_layers": 2,
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+ "post_layers": 1,
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+ "total_layer": 3,
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+ "K": [
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+ 5,
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+ "dropout": 0,
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+ "dropout_attn_score": 0.2,
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+ "heads": 5
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+ }
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+ }
degree.pt ADDED
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