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An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

pypi.org "Molecules" keyword

View the packages on the pypi.org package registry that are tagged with the "Molecules" keyword.

dockonsurf 0.0.1
Code to systematically find the most stable geometry for molecules on surfaces
1 version - Latest release: about 4 years ago - 1 dependent repositories - 13 downloads last month - 7 stars on gitlab.com - 1 maintainer
espnn 1.0.1
Electronic Stopping Power Neural Network predictor
10 versions - Latest release: about 2 months ago - 64 downloads last month - 1 stars on GitHub - 1 maintainer
diatomics 0.2.0
Python wrapper for The Diatomic Molecular Spectroscopy Database.
2 versions - Latest release: 4 months ago - 18 downloads last month - 1 maintainer
Related Keywords
Adsorption 1 DFT 1 chemistry 1 screening 1 surface 1 Stopping Power 1 Energy Loss 1 Atoms 1 Ions 1 Machine Learning 1 Neural Network 1 energy-loss 1 neutral-network 1 stopping-power 1 Database 1 Spectroscopy 1