Updates to requirements

durrantlab · Dec 19, 2023 · d4d4f8e · d4d4f8e
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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 torch==1.6.0+cu101 torchvision==0.7.0+cu101 -f https://download.pytorch.org/whl/torch_stable.html
 ```
 
 Note: `Cuda 10.1` is required during training

diff --git a/requirements.txt b/requirements.txt
@@ -30,3 +30,4 @@ tqdm==4.48.2
 urllib3==1.25.10
 wandb==0.9.4
 watchdog==0.10.3
+rdkit=2023.09.2