Artur Kadurin

4PUBLICATIONS
23CO-AUTHORS
Nonlinear optics and spectroscopyFluid-structure interaction and aeroacousticsTheoretical quantum chemistryEvolutionary computation
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Publications (4)

|Feb 18, 2026
A conformational benchmark for optical property prediction with solvent-aware graph neural networks.

Denis Potapov, Sergei Rogovoi, Kuzma Khrabrov

|Jul 07, 2025
AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations.

Maria Sindeeva, Alexander Telepov, Nikita Ivanisenko

|Oct 24, 2022
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset.

Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov

|Sep 06, 2018
Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery.

Daniil Polykovskiy, Alexander Zhebrak, Dmitry Vetrov

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