deps

ncfrey · ncfrey · commit 754cf817fbd8 · 2024-11-12T16:08:28.000-05:00
diff --git a/pyproject.toml b/pyproject.toml
@@ -24,6 +24,7 @@ readme = {file = "README.md"}
 
 [tool.setuptools.dynamic.optional-dependencies]
 dev = {file = ["requirements-dev.in"]}
+mgm = {file = ["requirements-mgm.in"]}
 
 [tool.setuptools.packages.find]
 where = ["src"]
diff --git a/requirements-mgm.in b/requirements-mgm.in
@@ -0,0 +1,2 @@
+selfies
+rdkit
diff --git a/requirements.in b/requirements.in
@@ -24,5 +24,10 @@ fastparquet
 datasketch
 peft
 icecream
-selfies
-rdkit
+captum
+pooch
+edlib
+onnx
+onnxscript
+beignet
+fair-esm
