Pinned Repositories
Castle
Ridge-regression force fields in Python using ACE descriptors
ALDELE
A deep-learning-based multiple toolkits (DeTool) approach that uses the inputs of enzymes and substrates for biocatalystic tasks.
Fitting_Osm
Fit_osm
od_category
time reorientation function
Xiangwen-Wang's Repositories
Xiangwen-Wang/ALDELE
A deep-learning-based multiple toolkits (DeTool) approach that uses the inputs of enzymes and substrates for biocatalystic tasks.
Xiangwen-Wang/Fitting_Osm
Fit_osm
Xiangwen-Wang/od_category
time reorientation function
Xiangwen-Wang/BioStructNet
BioStructNet is a structure-based deep learning model designed to enhance the prediction of enzyme-substrate interactions, particularly focusing on biocatalysis. It includes transfer learning approaches for small, function-based datasets. The parameters are validated through molecular docking and MD simulations.