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)

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; Alexander Telepov; Egor Rumiantsev; Alexey Skrynnik; Aleksandr Panov; Dmitry P. Vetrov; Elena Tutubalina; Artur Kadurin (ICLR, 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 001; Mikhail Shirokikh; Sergey I. Nikolenko; Elena Tutubalina; et al. (NeurIPS, 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 001; Mikhail Shirokikh; Sergey I. Nikolenko; Elena Tutubalina; et al. (CoRR, 2024)

AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations. - Maria Sindeeva; Alexander Telepov; Nikita Ivanisenko; Tatiana I Shashkova; Kuzma Khrabrov; Artem Tsypin; Artur Kadurin; Olga L. Kardymon (Briefings Bioinform., 2025)