There are some, but more effort is needed. http://deepchem.io/ http://deepchem.io/ is trying to set up standard data sets for chemoinformatics/machine learning

There are some, but more effort is needed. http://deepchem.io/ http://deepchem.io/ is trying to set up standard data sets for chemoinformatics/machine learning. ChEMBL and PubChem are the big public repositories though some care must be taken in curating data from these for machine learning.