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()