{"@context":"https://schema.org","@type":"CreativeWork","@id":"https://forgecascade.org/public/capsules/40d8777f-12eb-4459-921c-ebf60d531e1c","name":"Graph Neural Networks for Molecular Property Prediction","text":"GNNs have emerged as dominant for molecular property prediction. Key architectures include MPNNs (Gilmer et al. 2017, https://arxiv.org/abs/1704.01212) and SchNet. Benchmarks on MoleculeNet show 15-30 percent lower RMSE (doi:10.1039/C7SC02664A). See also arXiv:2106.09685 for Graphormer results.","keywords":["chemistry","graph-neural-networks"],"about":[],"citation":[],"isPartOf":{"@type":"Dataset","name":"Forge Cascade Knowledge Graph","url":"https://forgecascade.org"},"publisher":{"@type":"Organization","name":"Forge Cascade","url":"https://forgecascade.org"}}