Upload FragNet model trained on solubility
Browse files- config.json +18 -0
- metadata.json +8 -0
- pytorch_model.bin +3 -0
config.json
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{
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"model_type": "fragnet",
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"n_classes": 1,
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"atom_features": 167,
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"frag_features": 167,
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"edge_features": 17,
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"num_layer": 4,
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"num_heads": 4,
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"drop_ratio": 0.15,
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"h1": 256,
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"h2": 256,
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"h3": 256,
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"h4": 256,
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"act": "celu",
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"emb_dim": 128,
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"fthead": "FTHead2",
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"task_type": "regression"
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}
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metadata.json
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{
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"dataset": "solubility",
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"model_type": "finetune",
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"task_type": "regression",
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"num_tasks": 1,
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"framework": "PyTorch",
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"training_framework": "FragNet"
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}
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pytorch_model.bin
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version https://git-lfs.github.com/spec/v1
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oid sha256:cd2ff709917f71fb171ff620304add0fc3d519bd71535f1b1a365839e4720fa4
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size 12157162
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