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Rong2020 - Grover-QM7: Atomization energy prediction of small molecules.

ABSTRACT: 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. Model Type: Molecular properties prediction ML model. Model Relevance: Predicts the atomization energy of a molecule. Model Encoded by: Amna Ali (Ersilia) Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam Implementation of this model code by Ersilia is available here: https://github.com/ersilia-os/eos6o0z

SUBMITTER: Zainab Ashimiyu-Abdusalam

PROVIDER: MODEL2406040003 | BioModels | 2024-06-04

REPOSITORIES: BioModels

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