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The option to add information regarding chemical class using ClassyFire would be useful during library building.
A possible starting point is already available here: https://gitlab.unige.ch/Pierre-Marie.Allard/pybatchclassyfire/-/tree/master/notebook
The text was updated successfully, but these errors were encountered:
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The option to add information regarding chemical class using ClassyFire would be useful during library building.
A possible starting point is already available here: https://gitlab.unige.ch/Pierre-Marie.Allard/pybatchclassyfire/-/tree/master/notebook
The text was updated successfully, but these errors were encountered: