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  ### gnn_cnn_data.zip
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- the dataset used to train gnn and cnn-3d model.
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  ### split_60.zip
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- the dataset used to train Uni-Mol or ProFSA model for the SIU 0.6 version
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  ### split_90.zip
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- the dataset used to train Uni-Mol or ProFSA model for the SIU 0.9 version
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  ### pretrain_weights.zip
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- pretrained weights for Uni-Mol and ProFSA
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- ### final_dic.pkl.zip
 
 
 
 
 
 
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  Complete dataset file in pickle format
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  ## 2. Dataset Format
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  ### final_dic.pkl
 
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  ### gnn_cnn_data.zip
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+ The dataset used to train gnn and cnn-3d model.
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  ### split_60.zip
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+ The dataset used to train Uni-Mol or ProFSA model for the SIU 0.6 version. It contains train.lmdb, valid.lmdb and test.lmdb.
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  ### split_90.zip
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+ The dataset used to train Uni-Mol or ProFSA model for the SIU 0.9 version. It contains train.lmdb, valid.lmdb and test.lmdb.
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  ### pretrain_weights.zip
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+ Pretrained weights for Uni-Mol and ProFSA.
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+ profsa.pt: weights for pretrained ProFSA model
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+ mol_pre_no_h_220816.pt: weights for pretrained Uni-Mol molecular Encoder
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+ pocket_pre_220816.pt: weights for pretrained Uni-Mol pocketr Encoder
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+ ### final_dic.pkl
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  Complete dataset file in pickle format
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  ## 2. Dataset Format
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  ### final_dic.pkl