omat24 example

[allaffa]

@ArCho48 @RylieWeaver
I would like for you to take a look at how the code is structured, so that you can start getting acquainted with how we import new datasets in HydraGNN.

[RylieWeaver]

@allaffa

Thank you for pointing it out. I will put down my main findings to clarify if I'm understanding things correctly.

Overall, we now support download links and use a FAIRChem class to parse the molecular objects in new datasets.
(1) Download links are defined inside lists and downloaded in a loop based on the task (train/val)
(2) We use the AseDBDataset, which gives us functions to easily get traits such as atomic number, position, energy, forces, etc...

[allaffa]

@jychoi-hpc
Thank you for your review. I addressed the issue of type

[jychoi-hpc]

I just finished testing. I was able to generate the adios file and run training. The code looks good. Thank you for the update.