Stars
Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
Toolkit for alphafold3 input and output files
A command-line tool for tweaking WeChat - 首款微信 macOS 客户端撤回拦截与多开 🔨
An agentic skills framework & software development methodology that works.
A terminal spreadsheet multitool for discovering and arranging data
Powerful system-level package manager for Linux, macOS and Windows written in Rust – building on top of the Conda ecosystem.
It's a package for evaluation of predicted poses, right?
Portable command-line tool to query bioinformatics APIs, data, databases and files.
Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper
Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)
👜 Easily pick a place to store data for your Python code.
⚗️ An all-in-one solution for chemical property retrieval from PubChem.
🤖 A Python library for learning and evaluating knowledge graph embeddings
Write reproducible code for getting and processing ChEMBL
Structural Quality Assessment for Biomolecular Structure Prediction Models
The Family of Diffusion Protein Language Models (DPLM)
HMMER: biological sequence analysis using profile HMMs
Learning the language of protein-protein interactions
The first 100B protein language model from biomap
An accurate and trainable end-to-end protein-ligand docking framework
SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
An Open-Source Molecular Builder and Free Energy Preparation Workflow