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$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials
arXiv 2024
from 1 papers
Alexander Telepov
Anton Alekseev
Anton Ber
Artem Tsypin
Artur Kadurin
Dmitry Protasov
Egor Rumiantsev
Elena Tutubalina
Ilya Shenbin
Konstantin Ushenin