fixing deps

datamol-io · Dec 19, 2023 · 203fd12 · 203fd12
1 parent cf9fb68
commit 203fd12
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/env.yml b/env.yml
@@ -33,13 +33,13 @@ dependencies:
   - mordredcommunity
 
   # ML
-  - pytorch =1.12
+  - pytorch >=1.13
   - scikit-learn
   - fcd_torch
 
   # Optional: featurizers
-  - dgl
-  - dgllife
+  - dgl >=1.1.1
+  - dgllife >=0.3.2
   - graphormer-pretrained >=0.2.3
   - transformers
   - tokenizers <0.13.2

diff --git a/pyproject.toml b/pyproject.toml
@@ -39,7 +39,7 @@ dependencies = [
     "pandas",
     "numpy",
     "scipy",
-    "torch",
+    "torch>=1.13",
     "datamol >=0.8.0",
     "pyyaml",
     "platformdirs",
@@ -57,7 +57,7 @@ dependencies = [
 ]
 
 [project.optional-dependencies]
-dgl = ["dgl", "dgllife"]
+dgl = ["dgl>=1.1.1", "dgllife>=0.3.2"]
 
 graphormer = ["graphormer-pretrained"]