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EGraFFBench: evaluation of equivariant graph neural network..:
Bihani, Vaibhav
;
Mannan, Sajid
;
Pratiush, Utkarsh
...
Digital Discovery. 3 (2024) 4 - p. 759-768 , 2024
Link:
https://doi.org/10.1039/d4dd00027g
RT Journal T1
EGraFFBench: evaluation of equivariant graph neural network force fields for atomistic simulations
UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d4dd00027g&Exemplar=1&LAN=DE A1 Bihani, Vaibhav A1 Mannan, Sajid A1 Pratiush, Utkarsh A1 Du, Tao A1 Chen, Zhimin A1 Miret, Santiago A1 Micoulaut, Matthieu A1 Smedskjaer, Morten M. A1 Ranu, Sayan A1 Krishnan, N. M. Anoop PB Royal Society of Chemistry (RSC) YR 2024 SN 2635-098X JF Digital Discovery VO 3 IS 4 SP 759 OP 768 LK http://dx.doi.org/https://doi.org/10.1039/d4dd00027g DO https://doi.org/10.1039/d4dd00027g SF ELIB - SuUB Bremen
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