No longer need to specify train dataset loader when predicting

FAIR-Chem / fairchem

FAIR Chemistry's library of machine learning methods for chemistry

https://opencatalystproject.org/

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No longer need to specify train dataset loader when predicting #731

Closed curtischong closed 2 weeks ago

curtischong commented 4 weeks ago

In my own private fork of the repo I noticed this issue where I had to specify the train dataset to get the models to predict.
This was the change I made to work around this.
I do not have your training dataset so I haven't verified that it doesn't break your models. But I saw the comment in the readme and thought I'd let you know the issue!

misko commented 3 weeks ago

This looks great! Thank you! Sorry for the delay, we are trying to figure out how to run tests on this fork before merging. I think we almost have it working!

codecov[bot] commented 3 weeks ago

Codecov Report

Attention: Patch coverage is 87.50000% with 2 lines in your changes missing coverage. Please review.

Files	Coverage Δ
src/fairchem/core/trainers/base_trainer.py	`86.45% <87.50%> (ø)`