#Chemoinformatics
Showing 7 of 7 repositories tagged #chemoinformatics, ranked by stars
Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 160,000+ scientists worldwide. 140 ready-to-use 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.
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Declarative creation of composable visualization for Python (Complex heatmap, Upset plot, Oncoprint and more~)
ECG classification programs based on ML/DL methods
Python for chemoinformatics
A Knowledge Graph of Common Chemical Names to their Molecular Definition
Introductory data science for modern chemists.