Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "orca-quantum-chemistry" keyword
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
wailord 0.0.2
Wailord is a python library to interact with ORCA2 versions - Latest release: over 3 years ago - 1 dependent repositories - 27 downloads last month - 6 stars on GitHub - 1 maintainer
aiida_orca 0.7.0
AiiDA-Orca plugin5 versions - Latest release: about 1 year ago - 157 downloads last month - 7 stars on GitHub - 1 maintainer
Related Keywords
orca
2
computational-chemistry
2
dft
2
python
2
quantum-chemistry
2
abinitio-simulations
1
aiida
1
quantum chemistry
1
wailord
1
vibrational-entropies
1
thermochemistry
1
sterimol-parameters
1
steric-parameters
1
rrho
1
quasi-harmonic-approximation
1
quantum-chemistry-automation
1
psi4
1
ir-spectra
1
gaussian
1
dft-calculations
1
density-functional-theory
1
compchem
1
catalysis
1
utility
1
chemistry
1
computational
1