Stars
Simulating protein interactions with organometallic ligands using Universal Model of Atoms (UMA)
The agent that grows with you
Agent skill for building story-first Plotly visualizations with local review artifacts
A set of ready to use Agent Skills for research, science, engineering, analysis, finance and writing.
MoleculeKit: Your favorite molecule manipulation kit
A claude code skill for proofreading a paper
ALCHEMI Toolkit is a developer toolkit for accelerating training and inference for AI in chemistry and material science.
Claude Code is an agentic coding tool that lives in your terminal, understands your codebase, and helps you code faster by executing routine tasks, explaining complex code, and handling git workflo…
Atom order in one molecule is made to match that in another
An autonomous agent for deep financial research
Fully autonomous & self-evolving research from idea to paper. Chat an Idea. Get a Paper. 🦞
Generative model for protein binder design for protein and small molecule targets. Combines a pretrained flow-based generative model (built on La-Proteina) with inference-time optimization.
A hierarchical, component based molecule builder
This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published by IUPAC.
NDLOCR-Liteアプリケーションのリポジトリ（ソースコードを含む）NDLOCR‑Lite application repository (including source code)
Give your agents the power of the Hugging Face ecosystem
DFTB+ general package for performing fast atomistic simulations
Your own personal AI assistant. Any OS. Any Platform. The lobster way. 🦞
"🐈 nanobot: The Ultra-Lightweight Personal AI Agent"
This repository contains wrapper scripts compatible with the otool_external interface in ORCA.
Python API for the extended tight binding program package
Semiempirical Extended Tight-Binding Program Package