$ 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)

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, 2025)