From d4d4f8e728d8076de73f637cd0ccdbb19866319a Mon Sep 17 00:00:00 2001
From: "Jacob D. Durrant" <durrantj@pitt.edu>
Date: Mon, 18 Dec 2023 21:36:55 -0500
Subject: [PATCH] Updates to requirements

---
 README.md        | 1 +
 requirements.txt | 1 +
 2 files changed, 2 insertions(+)

diff --git a/README.md b/README.md
index d50f2dc..ab00df0 100644
--- 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
index 40eb6f1..ccc4dfd 100644
--- 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
\ No newline at end of file