Kuzma Khrabrov

According to our database, Kuzma Khrabrov authored at least 6 papers between 2023 and 2024.

Collaborative distances:

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

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

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