Update dependencies

Rob-Welch · Rob-Welch · commit 7cb0067b31b6 · 2026-04-13T13:16:51.000+01:00
diff --git a/environment.yaml b/environment.yaml
@@ -15,3 +15,4 @@ dependencies:
   - mdanalysis
   - openmmtools
   - rdkit
+  - openff-toolkit
diff --git a/pyproject.toml b/pyproject.toml
@@ -13,6 +13,7 @@ dependencies = [
    "mdanalysis",
    "rdkit",
    "openmmforcefields",
+   "openff-toolkit",
 #  "requests",
 #  "openmm==8.2.0",
 #  "pdbfixer==1.11",
