Datasets Activity Stream About Order by Relevance Name Ascending Name Descending Last Modified Go 2 datasets found Tags: Molecular property prediction Filter Results KPGT The KPGT model is a knowledge-guided pre-training of graph transformer for molecular property prediction. Dataset JSON PCQM4Mv2 The PCQM4Mv2 dataset provides a well-defined ML task of predicting the HOMO-LUMO gap of molecules given their 2D molecular graphs. Each molecule has two natural views. The 2D... Dataset JSON
