diff --git a/env.yml b/env.yml
index 25a6af0cf..62bf95a3c 100644
--- a/env.yml
+++ b/env.yml
@@ -12,7 +12,7 @@ dependencies:
   - platformdirs
 
   # scientific
-  - numpy
+  - numpy == 1.26.4
   - scipy >=1.4
   - pandas >=1.0
   - scikit-learn
@@ -28,7 +28,7 @@ dependencies:
   - gcsfs >=2021.6
 
   # ML packages
-  - cuda-version == 11.2 # works also with CPU-only system.
+  - cuda-version # works also with CPU-only system.
   - pytorch >=1.12
   - lightning >=2.0
   - torchmetrics >=0.7.0,<0.11
@@ -41,7 +41,7 @@ dependencies:
   - pytorch_scatter >=2.0
 
   # chemistry
-  - rdkit
+  - rdkit == 2024.03.4
   - datamol >=0.10
   - boost # needed by rdkit