Serious-Huang's Stars
hect0x7/JMComic-APK
防迷路 | 禁漫天堂APK | 禁漫APP安卓安装包 | jm天堂 | GitHub Actions
AspirinCode/papers-for-molecular-design-using-DL
List of Molecular and Material design using Generative AI and Deep Learning
MolecularAI/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
cgohlke/pymol-open-source-wheels
Pymol-open-source wheels for Python on Windows
durrantlab/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.
ChemEXL/BiCEV
diogomart/write-autogrid-config
jxzhangcc/OrbAlign
Orbital Alignment