Rong2020 - Grover-qm8: Prediction of the electronic spectra and excited state energy of small molecules.

ABSTRACT: 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. Model Type: Molecular properties prediction ML model. Model Relevance: Predicts electronic spectra and excited state energy of small molecules. 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/eos3xip

SUBMITTER: Zainab Ashimiyu-Abdusalam  

PROVIDER: MODEL2406040002 | BioModels | 2024-06-04

REPOSITORIES: BioModels