At the 2023 CIFTIS General Artificial Intelligence Computing Forum on August 28, the Small Molecule Drug Database and Peptide Drug Library of Beijing Computing Center Co., Ltd. was selected as the second batch of high-quality datasets of Beijing artificial intelligence large models.

The Small Molecule Drug Database, Peptide Drug Library contains small molecule structures and peptide structures and related parameter files for large-scale virtual screening. Researchers can use compounds or peptides in these databases for computational screening to find drug candidates that interact with the target molecule and further track and validate. The dataset has been certified as a data asset by the Beijing International Big Data Exchange.