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AtomsToGraphs Class Fails on Non-Periodic Structures Due to Singular Matrix Error
#900
opened Oct 30, 2024 by
IliasChair
Trying to run the new OMAT24 models throws RuntimeError: Registry for model_name_mapping is empty
#883
opened Oct 20, 2024 by
m-k-S
Running ml relaxations saves computes shuffled metrics
bug
Something isn't working
#879
opened Oct 17, 2024 by
lbluque
Missing energy and forces in start and end images of the OC20 NEB dataset
#877
opened Oct 14, 2024 by
LarsSchaaf
Passing unrecognized arguments to fairchem cli does not raise a useful error
enhancement
New feature or request
#849
opened Sep 12, 2024 by
lbluque
Need tests for loading checkpoints trained with otf normalizers
test
unit tests
#830
opened Sep 4, 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!
Exclude everything labeled
bug
with -label:bug.