Comments (1)
In GitLab by @RandomDefaultUser on Feb 16, 2021, 16:48
Resolved with inclusion of data repository
By Fiedler, Lenz (FWU) - 146409 on 2021-02-16T16:48:35 (imported from GitLab)
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Related Issues (20)
- `ex19_ase_calculator_with_uncertainty.py`: missing data HOT 3
- Data scaling: row vs. column and naming of methods
- Data scaling: API and documentation
- Memory leak when running long GPU inferences
- Update MALA logos
- Zero validation data loss during hyperparameter optimization HOT 1
- GPU Graphs fail when used with batch size that is not divisor of data set size
- Optuna v3.x.x no longer compatible with zombie trial cleaning HOT 2
- Adopt a code formatting standard HOT 4
- SNAP data overwritten for simultaneous pre-processing in same directory HOT 1
- Unused imports HOT 2
- Code duplications in `predictor.py` HOT 1
- Issue creating an arbitrary number of snapshots HOT 1
- Make CI not run when a PR is still in "draft" mode HOT 1
- Optuna resume workflow overhaul
- Remove old container images from package registry HOT 1
- Use tempfile to handle LAMMPS and QE temporary files
- Align Python versions througout MALA
- New containers are added to the registry, which should not actually be different
- Clean up cache entires after successfull merge of PR HOT 1
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