Reproducing MatBench results

[newalexander]

Hello, and thank you for making this work available! If I want to reproduce your results on the MatBench dataset (e.g., the log10 G result for DimeNet++), can you point me to what script I should run?

Compared to something like the QM9 script, I assume I'd want to use the dataloader functionality here and dataset here. Are there any other important changes from the QM9 script to keep in mind?

[chao1224]

Hi @newalexander,

Thank you for asking! I will release the codes and checkpoints for sure. Just this week, I'm at NeurIPS, so maybe I'm only able to provide you the clean scripts next week.

[chao1224]

Hi @newalexander,

Sorry for the delay. I just updated the draft scripts to the checkpoints branch for your reference.
I am working on cleaning-up the scripts and checkpoints. Please stay tuned.