Table 1.

“Chemistry aware” multi‐task learning approaches.

Package	Examples of supported algorithms	Availability
Chainer Chemistry	NFP, GGNN, RSGCN, WeaveNet, SchNet	https://github.com/ pfnet‐research
DeepChem	DAG, NNF, MPNN, TEXTCNN, WEAVE, IRV	https://github.com/ deepchem
OCHEM	The methods from Chainer Chemistry, DEEPCHEM, DNN, MLS‐SVM as well as MTL by property encoding as descriptors and feature net	http://ochem.eu