Yuanqing Wang
4PUBLICATIONS
21CO-AUTHORS
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Publications (4)
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|Aug 16, 2024
Machine-learned molecular mechanics force fields from large-scale quantum chemical data.Kenichiro Takaba, Anika J Friedman, Chapin E Cavender
|Jun 10, 2024
DrugGym: A testbed for the economics of autonomous drug discovery.Michael Retchin, Yuanqing Wang, Kenichiro Takaba
|May 08, 2024
EspalomaCharge: Machine Learning-Enabled Ultrafast Partial Charge Assignment.Yuanqing Wang, Iván Pulido, Kenichiro Takaba
|Nov 09, 2022
End-to-end differentiable construction of molecular mechanics force fields.Yuanqing Wang, Josh Fass, Benjamin Kaminow
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Frequent Collaborators
4 joint publications
Kenichiro Takaba
4 joint publications
John D Chodera
3 joint publications
Iván Pulido
2 joint publications
Mike Henry
1 joint publications
Josh Fass
1 joint publications
Benjamin Kaminow
1 joint publications
John E Herr
1 joint publications
Dominic Rufa
1 joint publications
Ivy Zhang
1 joint publications
Hannah E Bruce Macdonald
