From 6e79eb03d6677b032e904d4dd6f5134ca4c32e4a Mon Sep 17 00:00:00 2001 From: Rocco Meli Date: Tue, 16 May 2023 08:28:30 +0200 Subject: [PATCH] Update intro --- gninatorch/data/intro | 1 + 1 file changed, 1 insertion(+) diff --git a/gninatorch/data/intro b/gninatorch/data/intro index 90e8a98..3c18f58 100644 --- a/gninatorch/data/intro +++ b/gninatorch/data/intro @@ -1,6 +1,7 @@ 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]