Kuzma Khrabrov

According to our database, Kuzma Khrabrov authored at least 11 papers between 2023 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

LAGNet: better electron density prediction for LCAO-based data and drug-like substances.

Konstantin Ushenin, Kuzma Khrabrov, Artem Tsypin, Anton Ber, Egor Rumiantsev, Artur Kadurin

J. Cheminformatics, December, 2025

Measuring Chemical LLM robustness to molecular representations: a SMILES variation-based framework.

Veronika Ganeeva, Kuzma Khrabrov, Artur Kadurin, Elena Tutubalina

J. Cheminformatics, December, 2025

AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations.

Maria Sindeeva, Alexander Telepov, Nikita Ivanisenko, Tatiana Shashkova, Kuzma Khrabrov, Artem Tsypin, Artur Kadurin, Olga L. Kardymon

Briefings Bioinform., July, 2025

Two Steps from Hell: Compositionality on Chemical LMs.

Veronika Ganeeva, Kuzma Khrabrov, Artur Kadurin, Elena Tutubalina

Proceedings of the Findings of the Association for Computational Linguistics: EMNLP 2025, 2025

2024

∇²DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials.

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

CoRR, 2024

$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials.

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

Proceedings of the Advances in Neural Information Processing Systems 37: Annual Conference on Neural Information Processing Systems 2024, 2024

Gradual Optimization Learning for Conformational Energy Minimization.

Artem Tsypin, Leonid Ugadiarov, Kuzma Khrabrov, Alexander Telepov, Egor Rumiantsev, Alexey Skrynnik, Aleksandr Panov, Dmitry P. Vetrov, Elena Tutubalina, Artur Kadurin

Proceedings of the Twelfth International Conference on Learning Representations, 2024

Chemical Language Models Have Problems with Chemistry: A Case Study on Molecule Captioning Task.

Veronika Ganeeva, Kuzma Khrabrov, Artur Kadurin, Andrey V. Savchenko, Elena Tutubalina

Proceedings of the Second Tiny Papers Track at ICLR 2024, 2024

Lost in Translation: Chemical Language Models and the Misunderstanding of Molecule Structures.

Veronika Ganeeva, Andrey Sakhovskiy, Kuzma Khrabrov, Andrey V. Savchenko, Artur Kadurin, Elena Tutubalina

Proceedings of the Findings of the Association for Computational Linguistics: EMNLP 2024, 2024

2023

FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction.

Alexander Telepov, Artem Tsypin, Kuzma Khrabrov, Sergey Yakukhnov, Pavel Strashnov, Petr Zhilyaev, Egor Rumiantsev, Daniel Ezhov, Manvel Avetisian, Olga Popova, Artur Kadurin

Trans. Mach. Learn. Res., 2023

Gradual Optimization Learning for Conformational Energy Minimization.

Artem Tsypin, Leonid Ugadiarov, Kuzma Khrabrov, Manvel Avetisian, Alexander Telepov, Egor Rumiantsev, Alexey Skrynnik, Aleksandr I. Panov, Dmitry P. Vetrov, Elena Tutubalina, Artur Kadurin

CoRR, 2023