Spaces:

---

annabossler

/

orbmol-demo-ana-public

like 3

Running

This PR extends the app by adding more pretrained models from (https://github.com/orbital-materials/orb-models).

Now the user should be able to select 3 models:
-OMol
-OMat
-OMol-Direct

The changes should also make the addition of new pretrained models easier in the future

Everything seems to be working but I am not great at software design so

1. Can you check whether there is a smarter way of doing things?
2. I have commented out the _load_orbmol_calc function and call in app.py (we also have the load_orb_model in simulations.py, do we need both?
3. Any other comment/suggestion is greatly appreciated