Rong2020 - Grover-embedding: A self-supervised Graph Neural Network for molecular representation

This is the base grover model. GROVER is a self-supervised Graph Neural Network for molecular representation pretrained with 10 million unlabelled molecules from ChEMBL and ZINC15, and has been fine-tuned to predict several activities from the MoleculeNet benchmark.

Model Type: Representative machine learning model.
Model Relevance: Performs embedding representation 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/eos7w6n