biostudies-otherUnknownZainab Ashimiyu-AbdusalamAdvances in Neural Information Processing Systems 33 (NeurIPS 2020)https://www.ebi.ac.uk/biostudies/studies/MODEL2406040003biostudies-other10.48550/arXiv.2007.02835Amna AliZainab Ashimiyu-AbdusalamfalseRong2020 - Grover-QM7: Atomization energy prediction of small molecules.<p>This model has been trained using the GROVER embedding with the QM7 dataset from MoleculeNet, a subset of GDB13 containing all molecules up to 23 atoms (7 heavy atoms + C, S, O, N). This dataset contains the computed atomization energy of 7165 molecules.</p><p><normal>Model Type:</normal> Molecular properties prediction ML model.<br><normal>Model Relevance:</normal> Predicts the atomization energy of a molecule.<br><normal>Model Encoded by:</normal> Amna Ali (Ersilia)<br><normal>Metadata Submitted in BioModels by:</normal> Zainab Ashimiyu-Abdusalam</p><p>Implementation of this model code by <a href="https://ersilia.io/">Ersilia</a> is available here: <br><a href="https://github.com/ersilia-os/eos6o0z">https://github.com/ersilia-os/eos6o0z</a></p><img src="https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png" alt="Ersilia Logo" width="150">2024-06-04T00:00:00Z2025-07-14T17:01:51.073Z2025-03-31T13:26:28.617ZMODEL2406040003NCIT:C53237NCIT:C19650C154407NCIT:C71568topic_3336topic_0154topic_3474CHEMINF:00001810.48550/arXiv.2007.02835groverdatasets-1CHMO_0001466