| ∇ DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials K Khrabrov, A Ber, A Tsypin, K Ushenin, E Rumiantsev, A Telepov, ... CoRR, 2024 | 2 | 2024 |
| FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction A Telepov, A Tsypin, K Khrabrov, S Yakukhnov, P Strashnov, P Zhilyaev, ... arXiv preprint arXiv:2401.09840, 2024 | 1 | 2024 |
| Gradual optimization learning for conformational energy minimization A Tsypin, L Ugadiarov, K Khrabrov, A Telepov, E Rumiantsev, A Skrynnik, ... arXiv preprint arXiv:2311.06295, 2023 | 1 | 2023 |
| Doping position estimation for FeRh-based alloys E Rumiantsev, K Khrabrov, A Tsypin, ND Peresypkin, RR Gimaev, ... Scientific Reports 14 (1), 20612, 2024 | | 2024 |
| Mathematical problems of black-box computational technologies for continuum mechanics S Martynenko, W Zhou, İ Gökalp, P Toktaliev, G Tarasov, E Rumiantsev | | 2023 |
