1874Mercury

1874Mercury's Stars

• SakanaAI/AI-Scientist

  The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑‍🔬

  Language:Jupyter Notebook7.4k985

• bartongroup/LBS-comparison

  This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools

  Language:Jupyter Notebook3

• ml4bio/Dense-Homolog-Retrieval

  Nature Biotechnology: Ultra-fast, sensitive detection of protein remote homologs using deep dense retrieval

  Language:Python591

• OATML-Markslab/ProteinGym

  Official repository for the ProteinGym benchmarks

  Language:HTML20720

• plinder-org/plinder

  Protein Ligand INteraction Dataset and Evaluation Resource

  Language:Python1377

• hiyouga/LLaMA-Factory

  Efficiently Fine-Tune 100+ LLMs in WebUI (ACL 2024)

  Language:Python30.8k3.8k

• Outsider565/LoRA-GA

  Language:Jupyter Notebook1245

• a-r-j/ProteinWorkshop

  Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models and training/task utilities. (ICLR 2024)

  Language:Python19116

• naganandy/graph-based-deep-learning-literature

  links to conference publications in graph-based deep learning

  Language:Jupyter Notebook4.7k773

• HBioquant/DiffBindFR

  Diffusion model based protein-ligand flexible docking method

  Language:Python8511

• diff-usion/Awesome-Diffusion-Models

  A collection of resources and papers on Diffusion Models

  Language:HTML10.8k928

• ossu/bioinformatics

  :microscope: Path to a free self-taught education in Bioinformatics!

  5.4k897

• ELELAB/PDBminer

  scripts to find PBD structures for cancer driver proteins

  Language:Python294

• zotero-chinese/styles

  中文 CSL 样式

  Language:XML5k821

• QizhiPei/FABind

  FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)

  Language:Python10515

• jackwener/CS-Awesome-Courses

  计算机的优秀课程

  1.5k210

• Thinklab-SJTU/awesome-molecular-docking

  We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

  906

• google-deepmind/deepmind-research

  This repository contains implementations and illustrative code to accompany DeepMind publications

  Language:Jupyter Notebook13.1k2.6k

• zaixizhang/Awesome-SBDD

  Papers about Structure-based Drug Design (SBDD)

  757

• openai/consistency_models

  Official repo for consistency models.

  Language:Python6.1k409

• HeliXonProtein/OmegaFold

  OmegaFold Release Code

  Language:Python54176

• KeleiHe/LigPose

  Coming Soon...

  9

• openmm/openmm

  OpenMM is a toolkit for molecular simulation using high performance GPU code.

  Language:C++1.5k512

• gcorso/DiffDock

  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

  Language:Python1k251

• DirectMolecularConfGen/DMCG

  Language:Python4613

• biomed-AI/PROTAC-RL

  Language:Python5423

• JustFollowUs/Machine-Learning

  3.1k863

• dptech-corp/Uni-Fold

  An open-source platform for developing protein models beyond AlphaFold.

  Language:Python36769

• wengong-jin/abdockgen

  Language:Python10422

• mlc-ai/mlc-zh

  Language:Python58463