require chemprop==2.2.0

c-w-feldmann · c-w-feldmann · commit 73e08f9339c6 · 2025-06-30T14:58:43.000+02:00
diff --git a/pyproject.toml b/pyproject.toml
@@ -27,7 +27,7 @@ dependencies = [
 
 [project.optional-dependencies]
 chemprop = [
-    "chemprop>=2.0.3,<=2.0.4",
+    "chemprop>=2.2.0,<=2.0.0",
     "lightning>=2.5.1",
 ]
 notebooks = [

Original file line number	Diff line number	Diff line change
`@@ -27,7 +27,7 @@ dependencies = [`
`27`	`27`
`28`	`28`	`[project.optional-dependencies]`
`29`	`29`	`chemprop = [`
`30`		`- "chemprop>=2.0.3,<=2.0.4",`
	`30`	`+ "chemprop>=2.2.0,<=2.0.0",`
`31`	`31`	`"lightning>=2.5.1",`
`32`	`32`	`]`
`33`	`33`	`notebooks = [`