Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start

Yifan Wang, Lorenz Fleitmann, Lukas Raßpe-Lange, Niklas von der Aßen, André Bardow, Kai Leonhard. Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start. Journal of Chemical Information and Computer Sciences, 65(5):2513-2529, 2025. [doi]

Abstract

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