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

ABSTRACT: 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

SUBMITTER: Zainab Ashimiyu-Abdusalam

PROVIDER: MODEL2406050006 | BioModels | 2024-06-05

REPOSITORIES: BioModels

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