espaloma.data.collection.zinc

espaloma.data.collection.zinc(first=- 1, *args, **kwargs)

ZINC collection.

..[1] Irwin, John J, and Brian K Shoichet. “ZINC –a free database of commercially available compounds for virtual screening.” Journal of chemical information and modeling vol. 45,1 (2005): 177-82. doi:10.1021/ci049714+