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

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