Chemperium database for: Geometric Deep Learning for Molecular Property Predictions with Chemical Accuracy Across Chemical Space

<p>The dataset and trained models for the submitted manuscript "Geometric Deep Learning for Molecular Property Prediction with Chemical Accuracy Across Chemical Space"</p> <p>The trained models can be used in combination with the predict module in github.com/mrodobbe/chemperium. More information in README.md.</p> <p><em>When using these datasets, refer directly to the manuscript: https://doi.org/10.1186/s13321-024-00895-0&nbsp;</em></p>