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Merge pull request #49 from RMeli/RMeli-patch-1
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RMeli committed May 16, 2023
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gnina-torch is a PyTorch implementation of the GNINA scoring function.

Please consider citing the following references:
* R. Meli and A. McNutt, gnina-torch, github.com/RMeli/gnina-torch
* Ragoza et al., J. Chem. Inf. Model. 2017, 57, 4, 942–957 [method, default2017]
* Sunseri and Koes, J. Chem. Inf. Model. 2020, 60, 3, 1079–1084 [dependency]
* Francoeur et al., J. Chem. Inf. Model. 2020, 60, 9, 4200–4215 [default2018, dense]
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