Fixed-Dimensional Latent Flow for Generating Variable-Size 3D Molecules
In molecular discovery, molecule size is coupled to composition, structure, and other target properties. Yet most 3D generators require molecule size to be specified before generation. Here, we introduce Equivariant-Free Transformer-Autoencoded Latent Flow Matching, a two-stage generative framework that relies entirely...
Yao Weichi, Cameron J. Gruich, B. R. Goldsmith et al.
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