Model weights for single-label, 5-class models from https://doi.org/10.1101/482877

<p>The set of molecules used for training is in &quot;5cls_rmsaltol.csv&quot;.&nbsp;If you try to predict from an image of any of these molecules the model will almost certainly be correct because this was the training data.&nbsp;</p> <p>5cls_single_novalidation.model.h5 uses only the molecule with index 0 from 5cls_rmsaltol.csv.</p> <p>5cls_single_valset0.h5 and 5cls_single_valset1.h5 both used 20% of the data as validation set - the respective indexes of those validation sets are givent in 5cls_newskf0.csv and 5cls_newskf1.csv</p> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p>