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Unable to initiate OCPCalculator using the eqV2_dens_31M_mp.pt checkpoint
bug
Something isn't working
#941
opened Dec 11, 2024 by
jinlhr542
How to train the mptraj dataset using the fair chem framework?
#939
opened Dec 11, 2024 by
lavenderwfy
Trouble loading pretrained Equiformer V2 models using latest fairchem-core 1.3.0 on Linux
bug
Something isn't working
#936
opened Dec 9, 2024 by
samueldyoung29ctr
Is there a simple way to get adsorption energies of a certain adsorbate?
#932
opened Dec 5, 2024 by
The-one-on-the-moon
Energy seems not correct when using pretrained model on only-OC20 dataset and some models don't work
#929
opened Nov 28, 2024 by
Ramblekiss
Running ml relaxations saves computes shuffled metrics
bug
Something isn't working
#879
opened Oct 17, 2024 by
lbluque
Rename OCPCalculator to FAIRChemCalculator or similar
dont-close
enhancement
New feature or request
good first issue
Good for newcomers
#721
opened Jun 3, 2024 by
zulissimeta
main.py issues/improvements for mass inference with an ase-db with a checkpoint
dont-close
enhancement
New feature or request
#539
opened Jul 21, 2023 by
jkitchin
ProTip!
What’s not been updated in a month: updated:<2024-11-25.