DhruvaRajwade

DhruvaRajwade's Stars

• google-deepmind/alphafold3

  AlphaFold 3 inference pipeline.

  Language:Python5.9k52227704

• patrikx3/onenote

  📚 Linux Electron Onenote - A Linux compatible version of OneNote

  Language:JavaScript1.9k41198109

• deepmodeling/deepmd-kit

  A deep learning package for many-body potential energy representation and molecular dynamics

  Language:C++1.6k47858525

• jwohlwend/boltz

  Official repository for the Boltz-1 biomolecular interaction model

  Language:Python1.5k31105187

• Chen-Cai-OSU/awesome-equivariant-network

  Paper list for equivariant neural network

  1k622102

• bytedance/Protenix

  A trainable PyTorch reproduction of AlphaFold 3.

  Language:Python840193875

• LirongWu/awesome-protein-representation-learning

  Awesome Protein Representation Learning

  62924172

• torchmd/torchmd

  End-To-End Molecular Dynamics (MD) Engine using PyTorch

  Language:Python583162877

• martinpacesa/BindCraft

  User friendly and accurate binder design pipeline

  Language:Python4081114475

• torchmd/torchmd-net

  Training neural network potentials

  Language:Python3501011178

• RosettaCommons/protein_generator

  Joint sequence and structure generation with RoseTTAFold sequence space diffusion

  Language:Python288142047

• SakanaAI/evo-memory

  Code to train and evaluate Neural Attention Memory Models to obtain universally-applicable memory systems for transformers.

  Language:Python2734027

• Valdes-Tresanco-MS/gmx_MMPBSA

  gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

  Language:Python236947969

• DreamFold/FoldFlow

  FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation

  Language:Jupyter Notebook20291011

• colbyford/PyMOLfold

  Plugin for folding sequences directly in PyMOL

  Language:Jupyter Notebook683312

• cddlab/alphafold3_tools

  Toolkit for alphafold3 input and output files

  Language:Python59327

• KULL-Centre/_2024_cagiada_stability

  Language:Jupyter Notebook59116

• bowang-lab/Orthrus

  Orthrus is a mature RNA model for RNA property prediction. It uses a mamba encoder backbone, a variant of state-space models specifically designed for long-sequence data, such as RNA.

  Language:Python51476

• liuyf020419/SCUBA-D

  Language:Python51422

• chao1224/GeoSSL

  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1dvR)

  Language:Python45202

• epigen/MrBiomics

  MrBiomics: Modules & Recipes augment Bioinformatics for Multi-Omics Analyses

  Language:Python435401

• compsciencelab/mdCATH

  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user examples are also available.

  Language:Jupyter Notebook31301

• ChenyuWang-Monica/DRAKES

  Code for paper: "Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design"

  Language:Python30300

• shizhouxing/Local-Lipschitz-Constants

  [NeurIPS 2022] Code for paper "Efficiently Computing Local Lipschitz Constants of Neural Networks via Bound Propagation"

  Language:Python24112

• bzho3923/CPDiffusion

  Language:Python19151

• oliviachang29/the-complete-works-of-agatha-christie

  📚All of Agatha Christie's books, in .epub format.

  163

• HannesStark/GNN-primer

  Language:Jupyter Notebook11101

• oxpig/Humatch

  Fast, gene-specific joint humanisation of antibody heavy and light chains.

  Language:Python9002

• statbiophys/ABGen

  Code for the Paper: Generative Model for Monoclonal Antibodies

  Language:Python210

• shiroyasha263/shiroyasha263.github.io

  Language:HTML100