pypi.org "quantum-chemistry-packages" keyword
View the packages on the pypi.org package registry that are tagged with the "quantum-chemistry-packages" 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 - 13 downloads last month - 138 stars on GitHub - 2 maintainers
qc-iodata 1.0.0a8
Python Input and Output Library for Quantum Chemistry8 versions - Latest release: about 2 months ago - 2 dependent packages - 928 downloads last month - 138 stars on GitHub - 3 maintainers
qc-grid 0.0.9
Grid performs numerical integration, interpolation and differentiation.2 versions - Latest release: 9 months ago - 47 downloads last month - 68 stars on GitHub - 3 maintainers
qcgrid 0.0.1
Grid performs numerical integration, interpolation and differentiation.2 versions - Latest release: over 5 years ago - 1 dependent repositories - 2 downloads last month - 68 stars on GitHub - 1 maintainer
grid-tmp 0.0.1a3
Grid performs numerical integration, interpolation and differentiation.1 version - Latest release: 9 months ago - 10 downloads last month - 68 stars on GitHub - 1 maintainer
horton-grid 0.0.3
Molecular grids used in computational chemistry3 versions - Latest release: about 2 years ago - 1 dependent package - 24 downloads last month - 67 stars on GitHub - 1 maintainer
Related Keywords
computational-chemistry
6
quantum-chemistry
6
quadrature
4
python
4
interpolation
4
integration
4
cubature
4
partial-differential-equations
3
numerical-integration
3
numerical-differentiation
3
lebedev
3
coordinate-transformation
3
clenshaw-curtis
3
theoretical-chemistry
2
quantum-chemistry-programs
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-biology
2