A curated list of Python packages related to chemistry
Explore a collection of Python tools and libraries focused on chemistry and related simulations.
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awesome-python-chemistry has 1.4k stars on GitHub. It has been forked 231 times. It has been in active development since 2017. Its main topics are atomistic-simulations, chemistry, computational-chemistry, molecular-dynamics.
A curated list of Python packages related to chemistry
awesome-python-chemistry is an open-source project.
Yes. awesome-python-chemistry is free and open source — you can use, modify and self-host it.
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