xuebai1990's Stars
kellonb/RAGTAG
Genetic algorithm to optimize torsion parameters for multiple dihedrals on GPUs.
typst/typst
A new markup-based typesetting system that is powerful and easy to learn.
microsoft/generative-ai-for-beginners
18 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/
FadyMorris/formula-sheets
A repository for mathematics, machine learning and deep learning formula sheets created by Fady Morris
aqlaboratory/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
schrojunzhang/KarmaDock
spmallick/learnopencv
Learn OpenCV : C++ and Python Examples
Layne-Huang/PMDM
tubiana/TTClust
clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
PatWalters/practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
MCompChem/fep-benchmark
Benchmark set for relative free energy calculations.
choderalab/espaloma
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
MobleyLab/Lomap
Alchemical mutation scoring map