add chembl dependency

sfluegel05 · sfluegel05 · commit a0e74dd6088c · 2026-01-28T18:38:23.000+01:00
diff --git a/pyproject.toml b/pyproject.toml
@@ -23,6 +23,7 @@ dependencies = [
     "pysmiles==1.1.2",
     "rdkit==2024.3.6",
     "lightning==2.5.1",
+    "chembl_structure_pipeline",
 ]
 
 [project.optional-dependencies]

Original file line number	Diff line number	Diff line change
`@@ -23,6 +23,7 @@ dependencies = [`
`23`	`23`	`"pysmiles==1.1.2",`
`24`	`24`	`"rdkit==2024.3.6",`
`25`	`25`	`"lightning==2.5.1",`
	`26`	`+ "chembl_structure_pipeline",`
`26`	`27`	`]`
`27`	`28`
`28`	`29`	`[project.optional-dependencies]`