Chemistry
3 projects
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ChempropPython
A machine learning package implementing message passing neural networks for predicting molecular and reaction properties.
#graph-neural-networks#python-library#deep-learning
Stars2.3k
Forks738
Last commit1 day ago
awesome-python-chemistry
A curated list of awesome Python frameworks, libraries, software, and resources for chemistry and cheminformatics.
#scientific-computing#cheminformatics#simulation
Stars1.4k
Forks227
Last commit7 months ago
openbabelC++
An open-source chemical toolbox for converting, analyzing, and manipulating molecular data across 90+ file formats.
#scientific-computing#cheminformatics#file-format-conversion
Stars1.3k
Forks470
Last commit1 year ago
Community-curated · Updated weekly · 100% open source
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