Muhammed Shuaibi
Muhammed Shuaibi
For context my confusion came from reading the docs and expected `grads` to actually be forces, but digging into it some more and looking at the ASE parser for instance...
Adding to OCP 2.0 planned changes #520
We are currently working on a fix for this in #1185. In the mean time, you can load https://huggingface.co/facebook/UMA/blob/main/references/iso_atom_elem_refs.yaml and look at the `omol_elem_refs` (assuming `omol` is what you're interested...
Correct, these are only neutral for now. We'll look into something for ions
Sorry for the delays here. We are working on updating this. Hopefully we can provide something by today.
Apologies for the delay. We were able to track these down, you can download them here - https://dl.fbaipublicfiles.com/opencatalystproject/data/oc20neb/dft_initial_and_final_trajs_042125.tar.gz. Let me know if you have any issues! Note - These correspond...
Hello - Both OMol25 and OMat24 are available via HuggingFace globally, except in comprehensively sanctioned jurisdictions, and in China, Russia, and Belarus. Sorry for the inconvenience!
Welcome! A great place to start for fine-tuning is our tutorial here - https://fair-chem.github.io/core/fine-tuning/fine-tuning-oxides.html. There are a lot of other tutorials here that can help you get started. Feel free...
Yes we will certainly be putting out a simple fine-tuning procedure and tutorial very soon. Stay tuned!
Hi @alexhroom. You ever resolve this? I'm getting the same issue when running on slurm.