Datasets Activity Stream About Order by Relevance Name Ascending Name Descending Last Modified Go 2 datasets found Tags: Chemical Design Filter Results Automatic Chemical Design Using a Data-Driven Continuous Representation of Mo... A dataset for automatic chemical design using a data-driven continuous representation of molecules. Dataset JSON ZINC250K The ZINC250K dataset is a large dataset of molecules used for molecular design and generation. It contains 250,000 molecules with their corresponding properties and structures. Dataset JSON
