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Support Conformers in our Databases #9

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WardLT opened this issue Mar 2, 2021 · 0 comments

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WardLT commented Mar 2, 2021

We are running into problems with IPs for large molecules if we do not assess their conformers.

See: https://xtb-docs.readthedocs.io/en/latest/crest.html as a good method

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