ymatsunaga

ymatsunaga's Stars

• huggingface/datasets

  🤗 The largest hub of ready-to-use datasets for ML models with fast, easy-to-use and efficient data manipulation tools

  Language:Python19.4k2773k2.7k

• microsoft/Graphormer

  Graphormer is a general-purpose deep learning backbone for molecular modeling.

  Language:Python2.2k31156341

• ObservedObserver/chatgpt-i18n

  Localize your websites with AI assistance.

  Language:TypeScript80282396

• LuxDL/Lux.jl

  Elegant and Performant Scientific Machine Learning in Julia

  Language:Julia514927263

• Raychanan/ChatGPT-for-Translation

  Use Python and ChatGPT for translation. 利用Python和ChatGPT完成翻译

  Language:Python39244584

• whitphx/vscode-emacs-mcx

  Awesome Emacs Keymap - VSCode emacs keybinding with multi cursor support

  Language:TypeScript387725768

• bjornwallner/DockQ

  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models

  Language:Python23683753

• jupyterlab/jupyter-collaboration

  A Jupyter Server Extension Providing Support for Y Documents

  Language:Jupyter Notebook1791714931

• chemfiles/chemfiles

  Library for reading and writing chemistry files

  Language:C++1661218548

• slimgroup/InvertibleNetworks.jl

  A Julia framework for invertible neural networks

  Language:Julia160122623

• OpenFreeEnergy/openfe

  The Open Free Energy toolkit

  Language:Python148847921

• yuyang-shi/dsbm-pytorch

  PyTorch Implementation of Diffusion Schrodinger Bridge Matching

  Language:Python129306

• tubiana/TTClust

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

  Language:Python11063036

• althonos/peptides.py

  Physicochemical properties, indices and descriptors for amino-acid sequences.

  Language:Python766412

• wolberlab/OpenMMDL

  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes

  Language:Python7221111

• rlabduke/MolProbity

  Protein and nucleic acid validation service

  Language:Perl6392630

• alchemab/antiberta

  Public repository describing training and testing of AntiBERTa.

  Language:Jupyter Notebook5631013

• gaurav-arya/differentiable_mh

  Code for paper https://arxiv.org/abs/2306.07961

  Language:Julia53603

• choderalab/openmm-tutorials

  Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM

  Language:Jupyter Notebook4813118

• gamasenninn/gihyo-ChatGPT

  Gihyo ChatGPT Book

  Language:Jupyter Notebook35378

• luigibonati/deep-learning-slow-modes

  Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"

  Language:Roff192310

• choderalab/antibody-mutations

  Assessing the impact of mutations on antibody-antigen binding affinity

  Language:Python17203

• gpantel/MD_methods-and-analysis

  Repository for MD methods and analysis from submitted or published work

  Language:Rich Text Format172210

• wadayama/DU-Book

  For samples codes of the deep unfolding book.

  Language:Jupyter Notebook15102

• shunsakuraba/fepsuite

  Software package for FEP

  Language:Python14443

• resnant/dmol-book-japanese

  Japanese translation of "Deep learning for molecules and materials book"

  Language:Jupyter Notebook131114

• tiwarylab/simple-diffusion

  Demo of diffusion models #DDPM applied to molecular dynamics of small peptide

  Language:Jupyter Notebook13301

• vuqv/cosmo

  COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM

  Language:Python11171

• k0he1ya/DOCKING

  ensemble docking

  1

• sato9hara/SPoD-Net

  Python code for fast microscopic image recovery

  1100