{"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/MODEL2406040002"],"repository":["biostudies-other"],"additional_accession":["10.48550/arXiv.2007.02835"],"pubmed_authors":["Amna Ali","Zainab Ashimiyu-Abdusalam"]},"is_claimable":false,"name":"Rong2020 - Grover-qm8: Prediction of the electronic spectra and excited state energy of small molecules.","description":"<p>This model has been trained using the GROVER embedding with the QM8 dataset from Molecule Net, where the electronic properties have been calculated by multiple quantum mechanic methods.</p><p><normal>Model Type:</normal> Molecular properties prediction ML model.<br><normal>Model Relevance:</normal> Predicts electronic spectra and excited state energy of small molecules.<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/eos3xip\">https://github.com/ersilia-os/eos3xip</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":"2025-07-14T17:01:53.977Z","creation":"2025-03-31T13:26:26.517Z"},"accession":"MODEL2406040002","cross_references":{"ncit":["NCIT:C103240","NCIT:C19650","NCIT:C70662","NCIT:C17429","C45329","NCIT:C16867","NCIT:C75915"],"doi":["10.48550/arXiv.2007.02835"],"unknown":["CHMO_0000811","datasets-1"]}}