MolecularAI/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
A star delta has been computed for 62,678 of 63,382 tracked repositories in this period, and only those can be ranked in it.
A repository missing here has not been measured far enough back yet. That does not mean it did not move.
Star counts measured between 08:09 and 21:49 (BKK).
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Web-based molecule sketcher
197 bioinformatics & life science skills for Claude Code and AI agents — BixBench 92.0% accuracy. RNA-seq, single-cell, drug discovery, proteomics, and more. Powers OmicsHorizon.
Interaction Fingerprints for protein-ligand complexes and more
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
Universal cheminformatics toolkit, utilities and database search tools
PyChem-Pro: 100% Python API, fast, flexible & programmable molecular viewer - 2D and 3D, molecular docking pose viewer, cheminformatics library, molecular descriptor calculator, molecular editor, chemical drawing editor, QSAR model developer, and many more...
Library for reading and writing chemistry files
The official sources for the RDKit library
Experimental design and (multi-objective) bayesian optimization.
That's all 12 repositories in this period.
