Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "electronic-structure-calculations" keyword
sirius 7.3.1
SIRIUS is a domain specific library for electronic structure calculations. It implements pseudopo...9 versions - Latest release: over 2 years ago - 1 dependent package - 90 stars on GitHub
nwchem 7.0.2
NWChem is actively developed by a consortium of developers and maintained by the Environmental Mo...1 version - Latest release: over 1 year ago - 1 dependent package - 375 stars on GitHub