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frenio/README.md

Chemist – excited about machine learning and neural networks.

I am currently applying ideas from fast.ai's Deep Learning for Coders 2022 course to chemistry-related problems...

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  1. orca2csv orca2csv Public

    A collection of python scripts that extract data from Orca (a quantum chemistry program package) output files and write the data into a csv file. The python scripts are meant to help chemists extra…

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