Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "quantum-chemistry-automation" keyword
ccinput 1.10.3
Computational Chemistry Input Generator38 versions - Latest release: 5 months ago - 1 dependent repositories - 144 downloads last month - 39 stars on GitHub - 1 maintainer
aarontools 1.0b19
Tools for measuring and manipulating molecular structures19 versions - Latest release: about 1 year ago - 1 dependent repositories - 262 downloads last month - 36 stars on GitHub - 1 maintainer
Related Keywords
computational-chemistry
2
dft-calculations
2
python
2
computational
1
chemistry
1
utility
1
catalysis
1
compchem
1
density-functional-theory
1
dft
1
gaussian
1
ir-spectra
1
orca-quantum-chemistry
1
psi4
1
quantum-chemistry
1
quasi-harmonic-approximation
1
rrho
1
steric-parameters
1
sterimol-parameters
1
thermochemistry
1
vibrational-entropies
1