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cs.LG2025
AffinityFlow: Guided Flows for Antibody Affinity Maturation
Can Chen, Karla-Luise Herpoldt, Chenchao Zhao +4
Antibodies are widely used as therapeutics, but their development requires costly affinity maturation, involving iterative mutations to enhance binding affinity.This paper explores…
cs.LG2024
Pushing the Limits of All-Atom Geometric Graph Neural Networks: Pre-Training, Scaling and Zero-Shot Transfer
Zihan Pengmei, Zhengyuan Shen, Zichen Wang +2
Constructing transferable descriptors for conformation representation of molecular and biological systems finds numerous applications in drug discovery, learning-based molecular dy…