-
Notifications
You must be signed in to change notification settings - Fork 262
Issues: FAIR-Chem/fairchem
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
If the model can be used for Molecular Dynamic (LAMMPS or OPENMM) calculation?
#910
opened Nov 11, 2024 by
yang-lin430
Running ml relaxations saves computes shuffled metrics
bug
Something isn't working
stale
#879
opened Oct 17, 2024 by
lbluque
Missing energy and forces in start and end images of the OC20 NEB dataset
stale
#877
opened Oct 14, 2024 by
LarsSchaaf
Passing unrecognized arguments to fairchem cli does not raise a useful error
enhancement
New feature or request
stale
#849
opened Sep 12, 2024 by
lbluque
Need tests for loading checkpoints trained with otf normalizers
stale
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!
What’s not been updated in a month: updated:<2024-10-23.