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Lists (3)
Starred repositories
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
High accuracy RAG for answering questions from scientific documents with citations
AI-powered ab initio biomolecular dynamics simulation
A comprehensive toolkit for predicting free energies
Set up relative free energy calculations using a common scaffold
choderalab / sake
Forked from yuanqing-wang/sakeSpatial Attention Kinetic Networks with E(n)-Equivariance
We write your reusable computer vision tools. 💜
A multi-purpose tool for automated setup of MD systems (e.g. for transformato) and local, menu-based rerunning of CHARMM-GUI input scripts for CHARMM
pprof is a tool for visualization and analysis of profiling data
FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
A Machine Learned Molecular Mechanics Force Field with integration into GROMACS and OpenMM
🚀 MaxKB 是一款基于大语言模型和 RAG 的开源知识库问答系统，广泛应用于智能客服、企业内部知识库、学术研究与教育等场景。
The Arcade Learning Environment (ALE) -- a platform for AI research.
chsrc 全平台通用换源工具与框架. Change Source everywhere for every software
A lightweight library for portable low-level GPU computation using WebGPU.
Univer is a full-stack productivity dev kit helping you integrate spreadsheets, docs and slides into your systems.
A collection of tools that generate and analyse side-chain rotamer libraries
基于大模型搭建的聊天机器人，同时支持 微信公众号、企业微信应用、飞书、钉钉 等接入，可选择GPT3.5/GPT-4o/GPT-o1/ Claude/文心一言/讯飞星火/通义千问/ Gemini/GLM-4/Claude/Kimi/LinkAI，能处理文本、语音和图片，访问操作系统和互联网，支持基于自有知识库进行定制企业智能客服。
A modular graph-based Retrieval-Augmented Generation (RAG) system
Master programming by recreating your favorite technologies from scratch.
MaSIF-neosurf: surface-based protein design for ternary complexes.
