Catalogue tag

#chemoinformatics

Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.

5 records

Tagged “chemoinformatics”Ranked by health index

PyPI

88Excellenthealth index

K-Dense-AI/scientific-agent-skills

Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 190,000+ scientists worldwide. 165 ready-to-use validated skills plus 100+ scientific databases covering biology, chemistry, medicine, and drug discovery. Compatible with Cursor, Claude Code, Codex, Pi, Antigravity, and the open Agent Skills standard.

Python★ 45.2KSep 16, 2026

MITSep 16, 2026 · metrics 2.10.0

PyPI

87Excellenthealth index

HiroYokoyama/python_molecular_editor

MoleditPy -- A cross-platform, simple, and intuitive molecular editor built in Python. Please note that these codes are written with the assistance of LLM.

Python★ 8↓ 2,380/moOct 22, 2026

LGPL-3.0Oct 22, 2026 · metrics 2.10.0

PyPI

78Goodhealth index

chemosim-lab/ProLIF

Interaction Fingerprints for protein-ligand complexes and more

Python★ 540↓ 78.9K/moSep 19, 2026

Apache-2.0Sep 19, 2026 · metrics 2.10.0

PyPI

59Moderatehealth index

DrrDom/crem

CReM: chemically reasonable mutations framework

Python★ 288↓ 2,188/moOct 25, 2026

BSD-3-ClauseOct 25, 2026 · metrics 2.10.0

crates.io · npm

48Weakhealth index

TKanX/bio-forge

A high-performance, pure Rust toolkit for standardizing and preparing biomolecular systems (proteins & nucleic acids). It heals missing atoms, resolves protonation states, adds solvation, and unifies topologies to forge simulation-ready structures.

Rust · TypeScript★ 144↓ 244/moOct 22, 2026

MITOct 22, 2026 · metrics 2.10.0