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4 search results found
Chemml
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142
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
Pyquante2
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139
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
Pvactools
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122
Turfpy
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66
A Python library for performing geospatial data analysis which reimplements turf.js.
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