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Found 2 papers, 1 papers with code
Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose
The point cloud is a flexible representation for a wide variety of data types, and is a particularly natural fit for the 3D conformations of molecules.
Geometric Deep Learning for Molecular Crystal Structure Prediction
We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on molecular graphs.
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