pypi.org "quantum-chemistry-programs" keyword
View the packages on the pypi.org package registry that are tagged with the "quantum-chemistry-programs" keyword.
iodata 0.1.3
Python library for reading, writing, and converting computational chemistry file formats and gene...4 versions - Latest release: over 7 years ago - 1 dependent repositories - 95 downloads last month - 120 stars on GitHub - 2 maintainers
qc-iodata 1.0.0a5
Python Input and Output Library for Quantum Chemistry5 versions - Latest release: 7 months ago - 2 dependent packages - 597 downloads last month - 120 stars on GitHub - 3 maintainers
quantumtuna 0.6.1
A user-friendly quantum chemistry program for diatomics.7 versions - Latest release: 3 months ago - 209 downloads last month - 0 stars on GitHub - 1 maintainer
python-vasp 0.2.0
Yet another vasp parser, but unit tested4 versions - Latest release: almost 6 years ago - 1 dependent repositories - 83 downloads last month - 1 stars on GitHub - 1 maintainer
Related Keywords
quantum-chemistry
3
theoretical-chemistry
2
quantum-chemistry-packages
2
molecular-simulation
2
molecular-mechanics
2
molecular-electronic-structure
2
molecular-dynamics-simulation
2
molecular-dynamics
2
json-schema
2
input-output
2
file-formats
2
file-format-library
2
file-format-converter
2
file-converter
2
file-conversion
2
data-parsing
2
computational-physics
2
computational-chemistry
2
computational-biology
2
solid-state
1
parsers
1
physics
1
quantum
1
electronic-structure
1
vasp
1
molecular-physics
1
quantum chemistry
1
mp2
1
molecular physics
1
hartree-fock
1
dft
1