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Toward Learned Chemical Perception of Force Field Typing Rules

https://doi.org/10.1021/acs.jctc.8b00821

Zanette, Camila; Bannan, Caitlin C.; Bayly, Christopher I.; Fass, Josh; Gilson, Michael K.; Shirts, Michael R.; Chodera, John D.; Mobley, David L. (November 2018, Journal of Chemical Theory and Computation)

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Escaping Atom Types in Force Fields Using Direct Chemical Perception

https://doi.org/10.1021/acs.jctc.8b00640

Mobley, David L.; Bannan, Caitlin C.; Rizzi, Andrea; Bayly, Christopher I.; Chodera, John D.; Lim, Victoria T.; Lim, Nathan M.; Beauchamp, Kyle A.; Slochower, David R.; Shirts, Michael R.; et al (October 2018, Journal of Chemical Theory and Computation)

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