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 - 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
horton-grid 0.0.3
Molecular grids used in computational chemistry3 versions - Latest release: almost 2 years ago - 1 dependent package - 148 downloads last month - 66 stars on GitHub - 1 maintainer
grid-tmp 0.0.1a3
Grid performs numerical integration, interpolation and differentiation.1 version - Latest release: 6 months ago - 58 downloads last month - 66 stars on GitHub - 1 maintainer
qc-grid 0.0.9
Grid performs numerical integration, interpolation and differentiation.2 versions - Latest release: 6 months ago - 150 downloads last month - 66 stars on GitHub - 3 maintainers
qcgrid 0.0.1
Grid performs numerical integration, interpolation and differentiation.2 versions - Latest release: about 5 years ago - 1 dependent repositories - 2 downloads last month - 44 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