Tag. python-armour lua topology-optimization neural-network natural-language-processing software

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Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.

3D Infomax improves GNNs for Molecular Property Prediction Video | Paper We pre-train GNNs to understand the geometry of molecules given only their 2D

Hannes Stärk 95 Dec 30, 2022