Data

Tools

Indexes

Applications

Experiments

Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

pypi.org "quantumespresso" keyword

qctoolkit 0.0.14
quantum chemistry tool kit
12 versions - Latest release: over 9 years ago - 2 dependent repositories - 78 downloads last month - 8 stars on GitHub - 1 maintainer
minflow 0.0.1
A basic package for a customized workflow using quantum espresso or abinit.
1 version - Latest release: almost 4 years ago - 40 downloads last month - 1 maintainer
Related Keywords
python 1 dft 1 workflow 1 abinit 1 quantum 1 chemistry 1 wrapper 1 tools 1 alchemy 1 cpmd 1 nwchem 1 bigdft 1