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Attribution
$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials
arXiv 2024
Gradual Optimization Learning for Conformational Energy Minimization
arXiv 2023
from 2 papers
Alexander Telepov
Artem Tsypin
Artur Kadurin
Elena Tutubalina
Kuzma Khrabrov
Aleksandr I. Panov
Alexey Skrynnik
Anton Alekseev
Anton Ber
Dmitry Protasov