xuebai1990

xuebai1990's Stars

• kellonb/RAGTAG

  Genetic algorithm to optimize torsion parameters for multiple dihedrals on GPUs.

  Language:Python32

• typst/typst

  A new markup-based typesetting system that is powerful and easy to learn.

  Language:Rust32.6k871

• microsoft/generative-ai-for-beginners

  18 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/

  Language:Jupyter Notebook61.6k31.3k

• FadyMorris/formula-sheets

  A repository for mathematics, machine learning and deep learning formula sheets created by Fady Morris

  22245

• aqlaboratory/openfold

  Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

  Language:Python2.7k503

• schrojunzhang/KarmaDock

  Language:Python8712

• spmallick/learnopencv

  Learn OpenCV : C++ and Python Examples

  Language:Jupyter Notebook21k11.6k

• Layne-Huang/PMDM

  Language:Python8721

• tubiana/TTClust

  clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)

  Language:Python10436

• PatWalters/practical_cheminformatics_tutorials

  Practical Cheminformatics Tutorials

  Language:Jupyter Notebook778138

• MCompChem/fep-benchmark

  Benchmark set for relative free energy calculations.

  9031

• choderalab/espaloma

  Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

  Language:Python20823

• MobleyLab/Lomap

  Alchemical mutation scoring map

  Language:Python3717