Path |
Digest |
Size |
MoleculeACE/__init__.py |
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954 |
MoleculeACE/Data/__init__.py |
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MoleculeACE/Data/benchmark_data/CHEMBL1862_Ki.csv |
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62007 |
MoleculeACE/Data/benchmark_data/CHEMBL1871_Ki.csv |
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69167 |
MoleculeACE/Data/benchmark_data/CHEMBL2034_Ki.csv |
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|
72685 |
MoleculeACE/Data/benchmark_data/CHEMBL2047_EC50.csv |
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|
64375 |
MoleculeACE/Data/benchmark_data/CHEMBL204_Ki.csv |
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272953 |
MoleculeACE/Data/benchmark_data/CHEMBL2147_Ki.csv |
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120973 |
MoleculeACE/Data/benchmark_data/CHEMBL214_Ki.csv |
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272827 |
MoleculeACE/Data/benchmark_data/CHEMBL218_EC50.csv |
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94629 |
MoleculeACE/Data/benchmark_data/CHEMBL219_Ki.csv |
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146273 |
MoleculeACE/Data/benchmark_data/CHEMBL228_Ki.csv |
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134601 |
MoleculeACE/Data/benchmark_data/CHEMBL231_Ki.csv |
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80139 |
MoleculeACE/Data/benchmark_data/CHEMBL233_Ki.csv |
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324641 |
MoleculeACE/Data/benchmark_data/CHEMBL234_Ki.csv |
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306725 |
MoleculeACE/Data/benchmark_data/CHEMBL235_EC50.csv |
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211908 |
MoleculeACE/Data/benchmark_data/CHEMBL236_Ki.csv |
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285971 |
MoleculeACE/Data/benchmark_data/CHEMBL237_EC50.csv |
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104918 |
MoleculeACE/Data/benchmark_data/CHEMBL237_Ki.csv |
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273953 |
MoleculeACE/Data/benchmark_data/CHEMBL238_Ki.csv |
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81987 |
MoleculeACE/Data/benchmark_data/CHEMBL239_EC50.csv |
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151477 |
MoleculeACE/Data/benchmark_data/CHEMBL244_Ki.csv |
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304704 |
MoleculeACE/Data/benchmark_data/CHEMBL262_Ki.csv |
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66475 |
MoleculeACE/Data/benchmark_data/CHEMBL264_Ki.csv |
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223220 |
MoleculeACE/Data/benchmark_data/CHEMBL2835_Ki.csv |
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MoleculeACE/Data/benchmark_data/CHEMBL287_Ki.csv |
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97746 |
MoleculeACE/Data/benchmark_data/CHEMBL2971_Ki.csv |
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88383 |
MoleculeACE/Data/benchmark_data/CHEMBL3979_EC50.csv |
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101814 |
MoleculeACE/Data/benchmark_data/CHEMBL4005_Ki.csv |
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84641 |
MoleculeACE/Data/benchmark_data/CHEMBL4203_Ki.csv |
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55311 |
MoleculeACE/Data/benchmark_data/CHEMBL4616_EC50.csv |
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MoleculeACE/Data/benchmark_data/CHEMBL4792_Ki.csv |
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129521 |
MoleculeACE/Data/benchmark_data/__init__.py |
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MoleculeACE/Data/configures/__init__.py |
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MoleculeACE/Data/configures/benchmark/__init__.py |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/AFP_GRAPH.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/CNN_SMILES.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/GAT_GRAPH.yml |
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135 |
MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/GBM_ECFP.yml |
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131 |
MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/GBM_MACCS.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/GBM_PHYSCHEM.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/GBM_WHIM.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/GCN_GRAPH.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/KNN_ECFP.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/KNN_MACCS.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/KNN_PHYSCHEM.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/KNN_WHIM.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/LSTM_SMILES.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/MLP_ECFP.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/MPNN_GRAPH.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/RF_ECFP.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/RF_MACCS.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/RF_PHYSCHEM.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/RF_WHIM.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/SVM_ECFP.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/SVM_MACCS.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/SVM_PHYSCHEM.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/SVM_WHIM.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/Transformer_TOKENS.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1862_Ki/__init__.py |
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MoleculeACE/Data/configures/benchmark/CHEMBL1871_Ki/AFP_GRAPH.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1871_Ki/CNN_SMILES.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1871_Ki/GAT_GRAPH.yml |
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MoleculeACE/Data/configures/benchmark/CHEMBL1871_Ki/GBM_ECFP.yml |
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