Correct nse description: it is a fully reactive open-shell/radicals model

README.md

@@ -102,7 +102,7 @@ Mechanism enumeration, transition-state searches, NEB / BNEB, reaction-coordinat
 ## Limitations
 
 - **Element scope:** H, C, N, O only — passing other elements is not validated by the calculator and yields undefined output.
-- **Closed-shell only:** Open-shell species (radicals, doublets) are not handled. Use [`isayevlab/aimnet2-nse`](https://huggingface.co/isayevlab/aimnet2-nse) for open-shell chemistry, though it is not reaction-specialized.
+- **Closed-shell only:** Open-shell species (radicals, doublets) are not handled by AIMNet2-rxn. For open-shell reactions and radical chemistry, use [`isayevlab/aimnet2-nse`](https://huggingface.co/isayevlab/aimnet2-nse) — a fully reactive model with parametrization focused on open-shell systems and radicals.
 - **Charged systems:** Out of scope for this release; future work per the paper.
 - **Transition metals & heteroatoms beyond H/C/N/O:** Not supported.
 - **Equilibrium MD:** While the model is accurate at near-equilibrium, the wb97m-d3 family is generally preferred when reaction information is not needed.