Table 2 Software to apply DL to chemical formula, SMILES, and fragment representations.

Chemical formula
Model name	Link	Ref.
MatMiner	https://github.com/hackingmaterials/matminer	¹⁵¹
MagPie	https://bitbucket.org/wolverton/magpie	¹⁵⁰
DScribe	https://github.com/SINGROUP/dscribe	¹⁵⁸
ElemNet	https://github.com/NU-CUCIS/ElemNet	¹⁴¹
IRNet	https://github.com/NU-CUCIS/IRNet	^152,153
Roost	https://github.com/CompRhys/roost	¹⁵⁴
CrabNet	https://github.com/anthony-wang/CrabNet	³³³
CFID-Chem	https://github.com/usnistgov/jarvis/	⁹⁰
Atom2vec	https://github.com/idocx/Atom2Vec	³³⁴
CrossPropertyTL	https://github.com/NU-CUCIS/CrossPropertyTL	¹⁵⁷
SMILES and fragments
DeepSMILES	https://github.com/baoilleach/deepsmiles	³³⁵
ChemicalVAE	https://github.com/aspuru-guzik-group/chemical_vae	³³⁶
CVAE	https://github.com/jaechanglim/CVAE	¹³³
DeepChem	https://github.com/deepchem/deepchem	³³²
DeepFRAG	https://git.durrantlab.pitt.edu/jdurrant/deepfrag/	³³⁷
DeepFRAG-k	https://github.com/yaohangli/DeepFragK/	³³⁸
CheMixNet	https://github.com/NU-CUCIS/CheMixNet	³³⁹
SINet	https://github.com/NU-CUCIS/SINet	³⁴⁰

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