Datasets
Curated molecule datasets for examples and downloads.
A
- Alkane isomers/datasets/alkane-isomers
- Approved drugs/datasets/small-molecule-drugs
- Astex Diverse Set/datasets/astex-diverse-set
B
- Biological molecules/datasets/biological-molecules
C
- Common molecules/datasets/common-molecules
D
- Datasets/datasets
- Diatomic and monatomic elements/datasets/diatomic-and-monatomic-elements
O
- Organic compounds/datasets/organic-compounds
P
- Polar and nonpolar molecules/datasets/polar-and-nonpolar-molecules
- PoseBusters Benchmark set/datasets/posebusters-benchmark