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sparks-baird / CrabNet

Predict materials properties using only the composition information!
https://crabnet.readthedocs.io/
MIT License
12 stars 4 forks source link

Docs code not working properly #72

Open DavidSiretMarques opened 10 months ago

DavidSiretMarques commented 10 months ago

I just found out about crabnet and I started trying it today with the code provided in the docs This code gives an import problem, as models does not have the function get_data (apparently it seems to have been moved to utils.data, as per this example)

I've also tried the code in the readme and when trying to predict on validation data it gives an error saying that there's no target in the validation data...

Both problems seem to have an easy fix, and maybe it would be a good idea to review the docs and have them up to date with the working code, as to avoid confusion for new users.

DavidSiretMarques commented 10 months ago

This is related to this other issue that reports something similar, I think they might be related (if they're not copies of each other)

sgbaird commented 10 months ago

Hi @DavidSiretMarques, I took a look at this. Adding doctests would probably be for the best. If you make a PR, happy to look over it, otherwise I'll try to make some time to fix the docs. Maybe https://colab.research.google.com/github/sparks-baird/CrabNet/blob/main/examples/crabnet_basic_colab.ipynb can be of help, too.

DavidSiretMarques commented 10 months ago

I've never done doctests, but If I have some time I'd love to try, I'll keep you posted if I plan on doing a PR, thanks