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Kernel-elastic autoencoder for molecular design
Li H, Shee Y, Allen B, Maschietto F, Morgunov A, Batista V. Kernel-elastic autoencoder for molecular design. PNAS Nexus 2024, 3: pgae168. PMID: 38689710, PMCID: PMC11059255, DOI: 10.1093/pnasnexus/pgae168.
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