Combining SchNet, PaiNN and SHARC – Bridging the Gap between Machine Learning and Photoinduced Dynamics
SchNetPack - Deep Neural Networks for Atomistic Systems
Does persistent homology help an E(3)-equivariant model predict molecular dipole moments and polarizability tensors? A controlled study with matched negative controls, whose answer in this configuration is no.
SchNetPack Model on Material Project Database
A SchNetPack compatible MACE representation.
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