Serious-Huang

JMComic-APK

防迷路 | 禁漫天堂APK | 禁漫APP安卓安装包 | jm天堂 | GitHub Actions

papers-for-molecular-design-using-DL

List of Molecular and Material design using Generative AI and Deep Learning

REINVENT4

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

pymol-open-source-wheels

Pymol-open-source wheels for Python on Windows

freeenergy

deepfrag

DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such that the resulting extension is also highly complementary to the receptor. The DeepFrag web application is also a useful tool for teaching students about medicinal chemistry and lead optimization.

BiCEV

write-autogrid-config

OrbAlign

Orbital Alignment