Discover and read the best of Twitter Threads about #physchem
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Very glad to share our latest review on #geometricdeeplearning in molecular sciences, with special emphasis on drug discovery, quantum chemistry and synthesis prediction. 1/6
We put strong focus on the various existing molecular representations and their individual symmetries and advantages for different modeling applications. 2/6 
We discuss the major network architectures, such as RNNs, GNNs, 3D CNNs and Transformers, their applications on molecular systems, and the relevant equivariances they incorporate. 3/6
