{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"submitter":["Zainab Ashimiyu-Abdusalam"],"journal":["Advances in Neural Information Processing Systems 33 (NeurIPS 2020)"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/MODEL2406040003"],"repository":["biostudies-other"],"additional_accession":["10.48550/arXiv.2007.02835"],"pubmed_authors":["Amna Ali","Zainab Ashimiyu-Abdusalam"]},"is_claimable":false,"name":"Rong2020 - Grover-QM7: Atomization energy prediction of small molecules.","description":"<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\">","dates":{"release":"2024-06-04T00:00:00Z","modification":"2025-07-14T17:01:51.073Z","creation":"2025-03-31T13:26:28.617Z"},"accession":"MODEL2406040003","cross_references":{"ncit":["NCIT:C53237","NCIT:C19650","C154407","NCIT:C71568"],"edam":["topic_3336","topic_0154","topic_3474"],"cheminf":["CHEMINF:000018"],"doi":["10.48550/arXiv.2007.02835"],"unknown":["grover","datasets-1","CHMO_0001466"]}}