Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "rrho" 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
goodvibes 3.1.1
A python program to compute corrections to thermochemical data from frequency calculations9 versions - Latest release: about 2 years ago - 2 dependent packages - 1 dependent repositories - 340 downloads last month - 124 stars on GitHub - 1 maintainer
overreact 1.2.0
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data4 versions - Latest release: about 1 year ago - 1 dependent repositories - 40 downloads last month - 48 stars on GitHub - 1 maintainer
Related Keywords
thermochemistry
3
vibrational-entropies
2
compchem
2
computational-chemistry
2
gaussian
2
python
2
dispersion
1
quasi-harmonic
1
chemical-kinetics
1
microkinetics
1
reactions
1
automation
1
cli
1
computational-chemistry-logfiles
1
dsl
1
first-principles
1
in-silico
1
library
1
modeling
1
overreact
1
qrrho
1
quantum-tunneling
1
temperature
1
sterimol-parameters
1
steric-parameters
1
quasi-harmonic-approximation
1
quantum-chemistry-automation
1
quantum-chemistry
1
psi4
1
orca-quantum-chemistry
1
ir-spectra
1
dft-calculations
1
dft
1
density-functional-theory
1
catalysis
1
utility
1
chemistry
1
computational
1