This dataset consists of Pubchem molecules downloaded from: https://ftp.ncbi.nlm.nih.gov/pubchem/Compound/CURRENT-Full/

There are in total ~85M compounds for training, with an additional ~10M held out for validation and testing.
license:openrail region:us
{"license": "openrail"}
TAGS
#license-openrail #region-us 

This dataset consists of Pubchem molecules downloaded from: URL

There are in total ~85M compounds for training, with an additional ~10M held out for validation and testing.
TAGS
#license-openrail #region-us 
