Mila - Québec AI Institute; Graphcore
Alexander Mathiasen, Hatem Helal, Kerstin Klaser, Paul Balanca, Josef Dean, Carlo Luschi, Dominique Beaini, Andrew Fitzgibbon, Dominic Masters
create;density functional theory;dataset;quantum chemistry;molecules;deep learning
Generating QM1B with PySCF$_{\text{IPU}}$