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Diverse Hits in de Novo Molecule Design: A Diversity-based Comparison of Goal-directed Generators

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NIAID Data Ecosystem2026-05-01 收录
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https://zenodo.org/record/11004834
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资源简介:
Results for the paper "Diverse Hits in de Novo Molecule Design: A Diversity-based Comparison of Goal-directed Generators" in the form of the generated molecules and their associated scores. The relevant code to reproduce and visualize the results can be found at https://github.com/ml-jku/diverse-hits.
创建时间:
2024-04-21
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