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发表论文2 篇

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Artur Kadurin

Principal Researcher@Artificial Intelligence for Drug Discovery Center·俄罗斯·OpenReview

研究方向

deep learning · NLP · chemistry · quantum chemistry · GNNs

Active Learning for Molecular Conformation Optimization with a Domain-Agnostic Neural Surrogate Oracle

ICLR 2026Withdrawn

Gradual Optimization Learning for Conformational Energy Minimization

ICLR 2024Poster

合作者 (12)

Elena Tutubalina

Aleksandr Panov

Alexander Telepov

Alexey Skrynnik

Egor Rumiantsev