ymatsunaga's Stars
greener-group/rev-sim
Reversible molecular simulation
RikenSugitaLab/MLMM-Potential
Developing Machine Learning Potential for QM/MM
SBQ-1999/CryFold
From cryo-EM density map to atomic structure
probabilists/lampe
Likelihood-free AMortized Posterior Estimation with PyTorch
flatironinstitute/cryoSBI
samuelmurail/SST2
SST2 implementation in openmm
google-deepmind/alphafold3
AlphaFold 3 inference pipeline.
BILAB/psico
PyMOL scripts
rotskoff/shelfrich
Monte Carlo simulations of bacterial microcompartment self-assembly
arj7192/MasteringPyTorchV2
chaidiscovery/chai-lab
Chai-1, SOTA model for biomolecular structure prediction
ImagineAILab/ai-by-hand-excel
Das0Mann/MolSpin
Software package for spin dynamics
fwilliams/scalable-pytorch-sinkhorn
whitead/symd
N-Dimensional MD engine with symmetry group constraints written in C
Olemi-llm-apprentice/generate-project-summary
プロジェクトのファイル階層や記述内容を一つのテキストファイルにまとめる
bjing2016/mdgen
Generative modeling of molecular dynamics trajectories
iamhyc/Overleaf-Workshop
Open Overleaf/ShareLaTex projects in vscode, with full collaboration support.
yamadashy/repomix
📦 Repomix (formerly Repopack) is a powerful tool that packs your entire repository into a single, AI-friendly file. Perfect for when you need to feed your codebase to Large Language Models (LLMs) or other AI tools like Claude, ChatGPT, and Gemini.
hanyoseob/pytorch-noise2void
Noise2Void - Learning Denoising from Single Noisy Images
chand1012/git2gpt
Convert a Git repo into a ChatGPT prompt!
Ligo-Biosciences/AlphaFold3
Open source implementation of AlphaFold3
ghorbanimahdi73/GraphVampNet
universvm/how_to_create_a_protein
A short course on proteins and protein design aimed at early career students
yaledeus/FBM
Force-Guided Bridge Matching for Full-Atom Time-Coarsened Dynamics of Peptides
xuhuihuang/graphvampnets
GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collective variables of the self-assembly processes.
westlake-repl/ProTrek
ProTrek: Navigating the Protein Universe through Tri-Modal Contrastive Learning
karpathy/nn-zero-to-hero
Neural Networks: Zero to Hero
arcee-ai/mergekit
Tools for merging pretrained large language models.
nianticlabs/manydepth
[CVPR 2021] Self-supervised depth estimation from short sequences