ZINC-22: Multi-Billion Molecule Database
A dataset card for ZINC-22, the largest freely available database of commercially available compounds for virtual …
Jcim
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 …
GDB-17: Chemical Universe Database (166B Molecules)
Dataset card for GDB-17, containing 166 billion small organic molecules representing the largest enumerated chemical …