Methods for train test splits and more

pyiron / pyiron_potentialfit

Fitting machine learning interatomic potentials with pyiron

http://potentials.rub.de

BSD 3-Clause "New" or "Revised" License

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Open pmrv opened 3 months ago

pmrv commented 3 months ago

Will also add functionality in the direction of #94.

github-actions[bot] commented 3 months ago

:point_left: Launch a binder notebook on branch _pyiron/pyironpotentialfit/split