590 alphanet

[JessieGould]

closes: #590

[ElliottKasoar]

Can you add a list of things left to do e.g. if you add a space in between the square brackets below, it'll create a checkbox

• [] Update README

The developer guide may be slightly outdated in terms of what it suggests in terms of documenting a few model, but the main places will be the README and the user guide in docs.

We also need single point tests

[ElliottKasoar]

This doesn't seem to really be setting a default in the same way as this would normally mean, i.e. that this is automatically downloaded/used, not just a default string?

[JessieGould]

I think AlphaNet doesn't call [torch.set_default_dtype()] internally, it sets [self.precision = torch.float32] but doesn't change the global default dtype?

[JessieGould]

Progress;

• was working with single local model ckpt and json for tests ✓
• changed to work for all models using github repos for ckpt and json ✗
• not all model ckpt and json same style ie. some are figshare ✗
• reworked to work with single model again ✗
• It doesn't appear to have a built-in function to auto-download from github model like eg. pet-mad has ✗
• so need to rework logic ...

To do list

• singlepoint tests
• write "from github download" function
• remove "local" model from test models
• create way to auto download model for tests ( call GH function)
• direct user to model for manual download
• numpy 2.0 conflict - PR submitted
• numpy 2.0 conflict - PR accepted by alphanet?
• if alphanet accepts PR then should resolve conflicts with fairchem and UMA (test) and if so needs to be added to all too
• change logic for current implementation
• review all comments from Elliott above

Final check

• dependancies (check)
• conflicts fairchem and uma check
• architechture (check)
• calculator (check
• tests (check)
• skip extras working as expected?
• re-test for conflicts between packages

Documenting new model (check dev guide):

• readme
• userguide in docs