Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
spack.io "computational-chemistry" keyword
gnina 1.0.3
gnina (pronounced NEE-na) is a molecular docking program with integrated support for scoring and ...2 versions - Latest release: about 1 year ago - 394 stars on GitHub - 1 maintainer
mctc-lib
Modular computation toolchain library for quantum chemistry file IOLatest release: 26 days ago - 2 dependent packages - 10 stars on GitHub - 1 maintainer