Computational Drug Design and Cheminformatics
Highlights
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sPhysNet-Taut
sPhysNet-Taut PublicFast and Accurate Prediction of Tautomer Ratios in Aqueous Solution via Siamese Neural Network
Python 3
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MolGpKa
MolGpKa PublicForked from Xundrug/MolGpKa
The graph-convolutional neural network for pka prediction
Python
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AA-Score-Tool
AA-Score-Tool PublicForked from Xundrug/AA-Score-Tool
a tool for protein-ligand binding affinity prediction
Python
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MolSolv
MolSolv PublicForked from Xundrug/MolSolv
a machine learning model for small molecular solvation energy prediction
Python
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