Pinned Repositories
CIGIN
AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
energygrid
R code that performs Machine Learning using histograms generated from energy grids calculated by RASPA.
Gromacs-Tutorials
pacmof
PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic frameworks.
README
README文件语法解读，即Github Flavored Markdown语法介绍
Supramolecular_VAE
VMD-Plugin
Some molecular modeling plugins for VMD
Molcontroller
PACKMOL-GUI
An Integrated VMD Graphical User Interface for Molecular Packing
harrypotty18's Repositories
harrypotty18/CIGIN
AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
harrypotty18/energygrid
R code that performs Machine Learning using histograms generated from energy grids calculated by RASPA.
harrypotty18/Gromacs-Tutorials
harrypotty18/pacmof
PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic frameworks.
harrypotty18/README
README文件语法解读，即Github Flavored Markdown语法介绍
harrypotty18/Supramolecular_VAE