Revert "Install newer version of RDKit"

This reverts commit 6874bf7.
BioinfoMachineLearning · Jan 25, 2025 · 7a4b9fc · 7a4b9fc
1 parent 6874bf7
commit 7a4b9fc
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/environments/posebench_environment.yaml b/environments/posebench_environment.yaml
@@ -272,6 +272,7 @@ dependencies:
   - pytorch-cuda=11.8=h7e8668a_5
   - pytorch-mutex=1.0=cuda
   - pyyaml=6.0.1=py310h2372a71_1
+  - rdkit=2023.09.6=py310hb79e901_1
   - readline=8.2=h8228510_1
   - reduce=4.14=py310h8ea774a_3
   - referencing=0.35.1=pyhd8ed1ab_0
@@ -483,7 +484,6 @@ dependencies:
       - pytraj==2.0.6
       - pytz==2022.4
       - pyzmq==25.1.1
-      - rdkit==2024.3.5
       - regex==2023.10.3
       - requests-cache==1.1.0
       - rich==13.7.1