Minor update

durrantlab · Dec 19, 2023 · 69f2b89 · 69f2b89
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diff --git a/README.md b/README.md
@@ -209,6 +209,7 @@ You can build a virtualenv with the requirements:
 $ python3 -m venv leadopt_env
 $ source ./leadopt_env/bin/activate
 $ pip install -r requirements.txt
+$ pip install prody
 $ pip install torch==2.1.2+cu118 torchvision==0.16.2+cu118 --index-url https://download.pytorch.org/whl/cu118
 ```
 

diff --git a/requirements.txt b/requirements.txt
@@ -31,4 +31,3 @@ urllib3==1.25.10
 wandb==0.9.4
 watchdog==0.10.3
 rdkit==2023.09.2
-prody