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1. DeepRMSD-Vina_Optimization DeepRMSD-Vina_Optimization Public

   DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.

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2. OnionNet-2 OnionNet-2 Public

   OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.

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3. IGModel IGModel Public

   This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.

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4. onionnet onionnet Public

   Forked from zhenglz/onionnet

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5. torchmd torchmd Public

   Forked from torchmd/torchmd

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6. OnionNet-SFCT OnionNet-SFCT Public

   Forked from zhenglz/OnionNet-SFCT

   Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term

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