$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials

Fuente: arXiv

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Bibliographic Details
Main Authors:	Khrabrov, Kuzma, Ber, Anton, Tsypin, Artem, Ushenin, Konstantin, Rumiantsev, Egor, Telepov, Alexander, Protasov, Dmitry, Shenbin, Ilya, Alekseev, Anton, Shirokikh, Mikhail, Nikolenko, Sergey, Tutubalina, Elena, Kadurin, Artur
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Machine Learning
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2406.14347