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

Research output: Working paper › Preprint

DOI

https://doi.org/10.48550/arXiv.2406.14347
Final published version

Кузьма Храбров
Антон Бер
Артём Цыпин
Константин Ушенин
Егор Румянцев
Александр Телепов
Дмитрий Протасов
Илья Шенбин
Антон Михайлович Алексеев
Михаил Александрович Широких
Сергей Игоревич Николенко
Елена Тутубалина
Артур Кадурин

Original language	English
Volume	37
DOIs	https://doi.org/10.48550/arXiv.2406.14347
State	Published - 2024

Scopus subject areas

Drug Discovery
Artificial Intelligence
Chemistry (miscellaneous)

ID: 132531079

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