Kuzma Khrabrov

12 papers A* 2Journal 7Unranked 3
YearRankTypeTitle / Venue / Authors
2025 J jnl
AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations.
Briefings Bioinform.
Maria Sindeeva, Alexander Telepov, Nikita Ivanisenko, Tatiana I Shashkova, Kuzma Khrabrov, Artem Tsypin, Artur Kadurin, Olga L. Kardymon
2025 J jnl
LAGNet: better electron density prediction for LCAO-based data and drug-like substances.
J. Cheminformatics
Konstantin Ushenin, Kuzma Khrabrov, Artem Tsypin, Anton Ber, Egor Rumiantsev, Artur Kadurin
2025 J jnl
Measuring Chemical LLM robustness to molecular representations: a SMILES variation-based framework.
J. Cheminformatics
Veronika Ganeeva, Kuzma Khrabrov, Artur Kadurin, Elena Tutubalina
2025 — conf
Two Steps from Hell: Compositionality on Chemical LMs.
EMNLP (Findings)
Veronika Ganeeva, Kuzma Khrabrov, Artur Kadurin, Elena Tutubalina
2024 A* conf
$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials.
NeurIPS
Kuzma Khrabrov, Anton Ber, Artem Tsypin, Konstantin Ushenin, Egor Rumiantsev, Alexander Telepov, Dmitry Protasov, Ilya Shenbin, Anton Alekseev, Mikhail Shirokikh, Sergey I. Nikolenko, Elena Tutubalina, Artur Kadurin
2024 — conf
Chemical Language Models Have Problems with Chemistry: A Case Study on Molecule Captioning Task.
Tiny Papers @ ICLR
Veronika Ganeeva, Kuzma Khrabrov, Artur Kadurin, Andrey V. Savchenko, Elena Tutubalina
2024 J jnl
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction.
CoRR
Alexander Telepov, Artem Tsypin, Kuzma Khrabrov, Sergey Yakukhnov, Pavel Strashnov, Petr Zhilyaev, Egor Rumiantsev, Daniel Ezhov, Manvel Avetisian, Olga Popova, Artur Kadurin
2024 A* conf
Gradual Optimization Learning for Conformational Energy Minimization.
ICLR
Artem Tsypin, Leonid Ugadiarov, Kuzma Khrabrov, Alexander Telepov, Egor Rumiantsev, Alexey Skrynnik, Aleksandr Panov, Dmitry P. Vetrov, Elena Tutubalina, Artur Kadurin
2024 — conf
Lost in Translation: Chemical Language Models and the Misunderstanding of Molecule Structures.
EMNLP (Findings)
Veronika Ganeeva, Andrey Sakhovskiy, Kuzma Khrabrov, Andrey V. Savchenko, Artur Kadurin, Elena Tutubalina
2024 J jnl
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CoRR
Kuzma Khrabrov, Anton Ber, Artem Tsypin, Konstantin Ushenin, Egor Rumiantsev, Alexander Telepov, Dmitry Protasov, Ilya Shenbin, Anton Alekseev, Mikhail Shirokikh, Sergey I. Nikolenko, Elena Tutubalina, Artur Kadurin
2023 J jnl
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction.
Trans. Mach. Learn. Res.
Alexander Telepov, Artem Tsypin, Kuzma Khrabrov, Sergey Yakukhnov, Pavel Strashnov, Petr Zhilyaev, Egor Rumiantsev, Daniel Ezhov, Manvel Avetisian, Olga Popova, Artur Kadurin
2023 J jnl
Gradual Optimization Learning for Conformational Energy Minimization.
CoRR
Artem Tsypin, Leonid Ugadiarov, Kuzma Khrabrov, Manvel Avetisian, Alexander Telepov, Egor Rumiantsev, Alexey Skrynnik, Aleksandr I. Panov, Dmitry P. Vetrov, Elena Tutubalina, Artur Kadurin