zchwang

CataPro. A generalized enzyme kinetics parameter prediction model.

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

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

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

ProSolNet. ProSolNet and ProSolNet_mut are deep learning models based on multimodal features, designed to predict protein solubility and the changes in solubility caused by mutations, respectively.

onionnet. A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction