Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "abinitio-simulations" keyword
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
vaspgibbs 0.2.2
A simplified way to get Gibbs free energy from Vasp calculations3 versions - Latest release: about 1 year ago - 34 downloads last month - 44 stars on GitHub - 1 maintainer
pycrystal 1.0.16
Utilities for ab initio modeling suite CRYSTAL13 versions - Latest release: over 1 year ago - 1 dependent repositories - 219 downloads last month - 10 stars on GitHub - 2 maintainers
bond-order-processing 1.1.2
Process Mayer bond orders from ab inito calculations.5 versions - Latest release: about 1 year ago - 31 downloads last month - 0 stars on GitHub - 1 maintainer
Related Keywords
computational-chemistry
2
aiida
1
atomistic-simulations
1
computational-materials
1
crystal-ab-initio
1
emsl
1
gaussian
1
gaussian-lcao
1
packaging
1
dependency
1
infer
1
pyproject.toml
1
cpmd
1
kivy
1
kivymd
1
matplotlib
1
mayer-bond-orders
1
python
1
python-gui
1
quantum-chemistry
1
orca
1
dft
1
orca-quantum-chemistry
1
gibbs-energy
1
thermodynamics
1
vasp
1
materials
1
informatics
1
crystal
1
structures
1
crystal-structure
1
crystallography
1
CRYSTAL
1
ab-initio
1
ab-initio-simulations
1
first-principles
1
materials-science
1
abinitio
1