Data

• pairtune data downloaded from:

https://github.com/wengong-jin/iclr19-graph2graph/tree/master/data

• pre-training data can be downloaded from:

https://ibm.box.com/v/MoLFormer-data

or directly from ZINC (https://zinc15.docking.org/tranches/home/) and PubChem (https://ftp.ncbi.nlm.nih.gov/pubchem/).