pypi.org "electron-density" keyword
cclib-mojo 0.2.6 💰
Fast electron-density and wavefunction-on-grid evaluation for cclib-style basis sets, powered by ...8 versions - Latest release: 6 days ago - 581 downloads last month - 2 stars on GitHub - 1 maintainer
chmpy 1.6.0
Molecules, crystals, promolecule and Hirshfeld surfaces using python.23 versions - Latest release: 7 days ago - 715 downloads last month - 29 stars on GitHub - 1 maintainer
atomref-proatoms 2.0.0
Reproducible spherical proatomic radial density datasets and generator.1 version - Latest release: 4 months ago - 15 downloads last month - 0 stars on GitHub - 1 maintainer
qc-cugbasis 1.0.3
High performance CUDA/Python library for computing quantum chemistry density-based descriptors fo...9 versions - Latest release: 12 months ago - 12 downloads last month - 20 stars on GitHub - 3 maintainers
maptitude 0.2.4
High-performance crystallographic electron density computation and scoring12 versions - Latest release: 6 months ago - 1 maintainer
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crystallography
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computational-chemistry
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cif
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spherical-harmonics
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descriptor
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shape-descriptors
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descriptor-learning
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isosurface
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promolecule-density
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machine-learning-library
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promolecule
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cclib
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cube-file
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atomic-data
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atomic-radii
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basis-sets
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radial-density
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scoring
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molecular-modeling
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