MolProp

Contents:

Introduction
Single Model Training
K-Fold Cross Validation
Ensemble Training

MolProp:

molprop
tests

MolProp

molprop
molprop.inference
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molprop.inference

Functions

`eval`	Used to calculate validation metrics.
`eval_datamodule`
`infer`	Performs the inference.
`infer_ensemble`

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© Copyright 2022, Jan G. Rittig, Malte Frank, Moritz Wedemeyer.

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