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ZimmermanGroup/conformer-rl
ZimmermanGroup/conformer-rl PublicA deep reinforcement learning library for conformer generation.
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stko
stko PublicForked from JelfsMaterialsGroup/stko
A collection of molecular optimisers and property calculators for use with stk.
Python
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lukasturcani/stk
lukasturcani/stk PublicA Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
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