Message Passing Networks for Molecules with Tetrahedral Chirality

1 code implementation • 24 Nov 2020 • Lagnajit Pattanaik, Octavian-Eugen Ganea, Ian Coley, Klavs F. Jensen, William H. Green, Connor W. Coley

Molecules with identical graph connectivity can exhibit different physical and biological properties if they exhibit stereochemistry-a spatial structural characteristic.

Drug Discovery