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The architector python package - for 3D metal complex design. C22085

Python 91 19 Updated Feb 14, 2026
Python 5 1 Updated Jan 5, 2026

Fast continuum solvation based on domain decomposition

Fortran 30 9 Updated May 20, 2026

RDkit-based code to create tautomers

Python 3 1 Updated Aug 4, 2025

chemicals: Chemical database of Chemical Engineering Design Library (ChEDL)

Python 291 51 Updated Jun 7, 2026

Infrared spectrum

Python 4 Updated Jun 1, 2026

talkie is a vintage language model from 1930

Python 907 56 Updated May 19, 2026

A Toolbox for Post-Processing Quantum Chemical Wavefunction Data

Python 101 23 Updated Jul 24, 2021

Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock

Python 51 13 Updated Jun 11, 2026

Interface for AutoDock, molecule parameterization

Python 372 73 Updated Jun 15, 2026

Open source implementation of AlphaFold3

Python 1,080 93 Updated Oct 7, 2024

A Terminal Molecular Viewer Based on Unicode

Python 141 9 Updated May 10, 2026

Tools to scrape publications & their metadata from pubmed, arxiv, medrxiv, biorxiv and chemrxiv.

Python 528 60 Updated Jun 16, 2026

interactive & hardware agnostic SDK for lab automation

Python 469 165 Updated Jun 17, 2026

LabClaw – Operating Layer for LabOS (Stanford-Princeton AI Co-Scientists)

1,027 154 Updated Mar 19, 2026

An AI SKILL that provide design intelligence for building professional UI/UX multiple platforms

Python 92,902 9,701 Updated Apr 3, 2026

Use Codex from Claude Code to review code or delegate tasks.

JavaScript 21,167 1,283 Updated Jun 14, 2026

Claude Code skill that removes signs of AI-generated writing from text

24,649 2,331 Updated Jun 7, 2026

Enterprise-grade deep research skill for Claude Code with 8-phase pipeline, source credibility scoring, and automated validation. Outperforms OpenAI, Gemini, and Claude Desktop in quality and verif…

Python 774 86 Updated Apr 11, 2026

The agent that grows with you

Python 195,858 34,430 Updated Jun 17, 2026

autonomous harness engineering

Python 4,498 502 Updated Apr 3, 2026

AI agent skill that researches any topic across Reddit, X, YouTube, HN, Polymarket, and the web - then synthesizes a grounded summary

Python 43,772 3,601 Updated Jun 17, 2026

Production-grade agent directives for autonomous coding agents: Claude Code, Codex, Cursor, Windsurf, Aider.

Shell 954 191 Updated Apr 27, 2026
TypeScript 7,869 948 Updated Jun 12, 2026

The open-source app everyone uses to manage agents at work

TypeScript 70,727 13,144 Updated Jun 15, 2026

A complete AI agency at your fingertips - From frontend wizards to Reddit community ninjas, from whimsy injectors to reality checkers. Each agent is a specialized expert with personality, processes…

Shell 114,064 18,636 Updated Jun 16, 2026

GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data

Python 35 2 Updated Apr 10, 2026

AI-powered citation search & paper review for Overleaf — Chrome extension. Think Google Scholar but inside Overleaf. Also works with OpenAI Prism, & Opera.

TypeScript 126 5 Updated Jun 13, 2026
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