mcsorkun/Conformer-Search mcsorkun/Conformer-Search

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  • Rank 1,939,727 (Top 39 %)
  • Language
    Python
  • Created almost 5 years ago
  • Updated over 4 years ago
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mcsorkun/Conformer-Search
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mcsorkun

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Repository Details

A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.

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