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Advancing Force Fields Parameterization: A Directed Graph A..:
Chen, Gong
;
Jaffrelot Inizan, Théo
;
Plé, Thomas
...
Journal of Chemical Theory and Computation. 20 (2024) 13 - p. 5558-5569 , 2024
Link:
https://doi.org/10.1021/acs.jctc.3c01421
RT Journal T1 <Title>Advancing Force Fields Parameterization: A Directed Graph Attention Networks Approach</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c01421&Exemplar=1&LAN=DE A1 Chen, Gong A1 Jaffrelot Inizan, Théo A1 Plé, Thomas A1 Lagardère, Louis A1 Piquemal, Jean-Philip A1 Maday, Yvon PB American Chemical Society (ACS) YR 2024 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 20 IS 13 SP 5558 OP 5569 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c01421 DO https://doi.org/10.1021/acs.jctc.3c01421 SF ELIB - SuUB Bremen
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