OpenCodePapers

drug-discovery-on-qm9

Drug Discovery
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PaperCodeError ratioModelNameReleaseDate
A Universal Framework for Accurate and Efficient Geometric Deep Learning of Molecular Systems✓ Link0.363PAMNet2023-11-19
Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures✓ Link0.382MXMNet2020-11-15
Spherical Message Passing for 3D Graph Networks✓ Link0.386SphereNet2021-02-09
ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs✓ Link0.403ComENet2022-06-17
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules✓ Link0.410DimeNet++2020-11-28
Equivariant message passing for the prediction of tensorial properties and molecular spectra✓ Link0.411PaiNN2021-02-05
Directional Message Passing for Molecular Graphs✓ Link0.44DimeNet2020-03-06
Transferable Multi-level Attention Neural Network for Accurate Prediction of Quantum Chemistry Properties via Multi-task Learning0.531DeepMoleNet2020-06-30
Neural Message Passing for Quantum Chemistry✓ Link0.68MPNNs2017-04-04
Gated Graph Sequence Neural Networks✓ Link1.36Gated Graph Sequence NN2015-11-17
Molecular Graph Convolutions: Moving Beyond Fingerprints✓ Link2.59Molecular Graph Convolutions2016-03-02
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