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Found 2 papers, 2 papers with code
Robust Model-Based Optimization for Challenging Fitness Landscapes
Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next.
Chemical-Reaction-Aware Molecule Representation Learning
Molecule representation learning (MRL) methods aim to embed molecules into a real vector space.
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