3DInfomax
PublicMaking self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
3ddgl-graphgnngraphgraph-neural-networksgraph-representation-learningmoleculespytorch-geometricself-supervised-learning
Creat:2021-05-17T14:15:42
Update:2025-03-20T13:43:14
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