wqzhuangUOA

wqzhuangUOA's Stars

• jozhang97/MutateEverything

  Language:Python666

• jcchan23/GraphSol

  Code of our JC paper: "Structure-aware protein solubility prediction from sequence through graph convolutional network and predicted contact map"

  Language:Python6816

• Ryan-Hu-Hu-Hu/GRACE

  GRACE: Generative Renaissance in Artificial Computational Enzyme Design

  Language:Shell102

• richards199999/Thinking-Claude

  Let your Claude able to think

  Language:JavaScript8.2k943

• DataExpert-io/data-engineer-handbook

  This is a repo with links to everything you'd ever want to learn about data engineering

  Language:Makefile21.4k3.3k

• JuDFTteam/best-of-atomistic-machine-learning

  🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

  40038

• MolSSI/QCEngine

  Quantum chemistry program executor and IO standardizer (QCSchema).

  Language:Python16981

• vibbits/Elixir-3DBioInfo-Benchmark-Protein-Interfaces

  6

• bytedance/Protenix

  A trainable PyTorch reproduction of AlphaFold 3.

  Language:Python67653

• microsoft/AI2BMD

  AI-powered ab initio biomolecular dynamics simulation

  Language:Python38446

• google-deepmind/alphafold3

  AlphaFold 3 inference pipeline.

  Language:Python5.2k582

• data2code/afpdb

  Efficient manipulation of protein structures in Python

  Language:Jupyter Notebook412

• Kuhlman-Lab/proteinmpnn

  our in-house version of ProteinMPNN

  Language:Python92

• google-research/proteinfer

  Deep networks for protein functional inference

  Language:Jupyter Notebook16327

• aishwaryanr/awesome-generative-ai-guide

  A one stop repository for generative AI research updates, interview resources, notebooks and much more!

  9.3k2k

• general-molecular-simulations/so3lr

  SO3krates and Universal Pairwise Force Field for Molecular Simulation

  Language:Python632

• lujiarui/esmdiff

  Language:Python334

• TencentAI4S/HuDiff

  Code for humanization of antibody and nanobody

  Language:Python241

• THUNLP-MT/PepGLAD

  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)

  Language:Python252

• MolecularAI/REINVENT4

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

  Language:Python36890

• dina-lab3D/CombFold

  Language:C++7416

• FabianFuchsML/se3-transformer-public

  code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

  Language:Python50169

• zengtsysu/BioNavi

  Language:Python73

• PKUliujl/GeoSeqBuilder

  Language:Python205

• gpu-mode/lectures

  Material for gpu-mode lectures

  Language:Jupyter Notebook3.1k313

• wells-wood-research/ProteinMPNN_custom_training

  Scripts for training ProteinMPNN with a custom dataset and other utils

  Language:Shell2

• wells-wood-research/chronowska-stam-wood-2024-protein-design-archive

  Code supporting the Protein Design Archive (PDA) database publication

  Language:Jupyter Notebook2

• AstraZeneca/DiffAbXL

  The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs", formerly titled "Benchmarking Generative Models for Antibody Design".

  Language:Python505

• bytedance/dplm

  Official Implemetation of DPLM (ICML'24) - Diffusion Language Models Are Versatile Protein Learners

  Language:C++768

• molmod/psiflow

  scalable molecular simulation

  Language:Python1237