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Fabian Bohle (fabothch)

fabothch

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grimme-lab

Fabian Bohle's repositories

TMprep

TM control file generation

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CRENSO

Scripts to automate CREST and CENSO for calculating various properties

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anmr-test

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CENSO

CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

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CENSO-Documentation

Gitbook Documentation for CENSO

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enso

energetic sorting of conformer rotamer ensembles

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xtb_docs

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