From df7c73aeec92d2203ad0092ce15e1a4f82d7a0c7 Mon Sep 17 00:00:00 2001 From: albert bou Date: Tue, 6 Aug 2024 15:37:06 +0200 Subject: [PATCH] update README --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index 6f48d22..c9242ce 100644 --- a/README.md +++ b/README.md @@ -81,6 +81,7 @@ To install the required dependencies run the following commands. Replace `cu121` Unless you intend to define your own custom scoring functions, install MolScore by running + pip3 install rdkit==2023.3.3, joblib pip3 install MolScore To use the scaffold decoration and fragment linking, install promptsmiles by running