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A Python package to compute similarities between molecules and structures
Python C++ Shell
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libmatch Added options for non-normalized SOAPs Apr 25, 2018
tools Long-overdue change of naming convention for the options Apr 19, 2018
.gitignore cleaned up the code. Sep 19, 2015
LICENSE
README.md
glosim.py Lots of cleaning up and implemented unnormalized SOAPs Apr 19, 2018
glosoap.py
glosoapAlchemy.py typo Jun 20, 2017

README.md

glosim

A Python package to compute similarities between molecules and structures

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