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SMALL ROADMAP
This demo is exquisite but to be perfect there are few things left to be adjusted. I will make a list of the tasks needed!
The OrbMol github provides more than just 1 pretrained model ( https://github.com/orbital-materials/orb-models/blob/main/orb_models/forcefield/pretrained.py). I don't think we need to include all of them, I will read the papers and understand which one would be nice to include as well as which examples.
The molecular 3d plot seems to be struggling, it does not work for a water.xyz file under the single point tab, while for the MD and Relaxation it only shows Oxygen.
We should show the initial structure when uploaded and also the trajectory
Finally, We need to provide a general background and explanation for the Orb-Models
Feel free to add more things if they come up to mind
Thanks! by order: point 1, we can put a box to choose between models, could be better point 2. yes, I´m struggling with 3d (I use UMA gradio_3dmolecule but for some reason I´m not making it work fully, going to do more debug because it is when loading and passing the pdb).
the third point: yes, we can make it show the trajectory, going to research how to show initial structure (guess clone UMA :D)
The point 4, yes, maybe we can get help to put this "nicer".