Add environment.yaml

wengroup · Jul 3, 2023 · 31efdd0 · 31efdd0
1 parent 2a48355
commit 31efdd0
Showing 1 changed file with 18 additions and 0 deletions.
diff --git a/environment.yml b/environment.yml
@@ -0,0 +1,18 @@
+name: matten
+channels:
+  - pytorch
+  - conda-forge
+  - pyg
+  - defaults
+dependencies:
+  - pytorch>=2.0.0
+  - pyg>=2.3.0
+  - pytorch-scatter
+  - pytorch-lightning>=2.0.0
+  - torchmetrics>=0.11.0
+  - pymatgen
+  - loguru
+  - pandas
+  - pytest
+  - pip:
+      - torchtyping