Related Issues (20)
- Rework shift and scale options to use pydantic directly
- Investigate the prospects of pallas HOT 1
- add DOI and zenodo badge HOT 2
- unpin jax version
- Path handling introduces bugs when model is loaded from other path
- Utilize dataclasses in callback initialization
- Evaluate SAM optimizer
- Carefully evaluate NPT implementation HOT 1
- Improve type hints and documentation
- Transfer learning broken HOT 1
- Complete Docs HOT 1
- Remove deprecated `NeighborSpoof` class
- Check BAL scalability HOT 1
- Load Pretrained Models in tests using ZnTrack
- Crash when testing minimal model - ValueError: Dimensions 4511 and 1360 are not compatible HOT 2
- Loading ASE calculator from model trained with basic config template fails HOT 5
- Dev branch version is still 0.1.0, only main branch is up to date
- use precommit.ci
- Save jaxmd checkpoint at the end of the run. HOT 1
- Investigate usage of half neighbor list
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