Source code for chemicalchecker.tool.targetmate.datasets.moleculenet.fetch_moleculenet
"""Fetch data from MoleculeNet.
For the moment, only binary (classification exercise) data are stored.
"""
[docs]class MoleculeNet:
def __init__(self):
pass
def parse_tox21(self, ):
pass
def parse_toxcast(self, ):
pass
def parse_sider(self, ):
pass
if __name__ == '__main__':
molnet = MoleculeNet()
molnet.parse_tox21()
molnet.parse_toxcast()
molnet.parse_sider()