Computational Chemistry

GDB-11: Chemical Universe Database (26.4M Molecules)

A dataset card for the Generated Database 11 (GDB-11), a database of 26.4 million small organic molecules for virtual …

Computational Chemistry

GDB-17: Chemical Universe Database (166B Molecules)

A dataset card for the Generated Database 17 (GDB-17), containing 166 billion small organic molecules representing the …