Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "thermochemistry" keyword
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 - 28 downloads last month - 48 stars on GitHub - 1 maintainer
pyqrc 1.0.3
A python program to project computed structures along computed normal modes and perform a Quick R...1 version - Latest release: about 3 years ago - 1 dependent repositories - 33 downloads last month - 29 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
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
pmutt 1.4.15
Python Multiscale Thermochemistry Toolbox (pmutt)44 versions - Latest release: about 2 months ago - 3 dependent packages - 1 dependent repositories - 443 downloads last month - 38 stars on GitHub - 2 maintainers
panthera 0.5.2
Package for calculating thermochemistry with anharmonic corrections1 version - Latest release: almost 3 years ago - 1 dependent repositories - 13 downloads last month - 5 stars on GitHub - 1 maintainer
Related Keywords
compchem
3
rrho
3
gaussian
3
python
3
computational-chemistry
2
chemistry
2
vibrational-entropies
2
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
chemical-kinetics
1
temperature
1
dispersion
1
quasi-harmonic
1
dft-to-thermdat
1
nasa
1
thermdat
1
vibrations
1
anharmonic
1
physics
1
anharmonicity
1
enthalpy
1
entropy
1
molecules
1
solid-state-chemistry
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
imaginary frequencies
1
intrinsic reaction coordinate
1
normal modes
1
frequency-calculation
1
irc
1
qrc
1
reaction-coordinate
1
transition-structure
1
computational
1
utility
1
catalysis
1
density-functional-theory
1