sirmarcel / cmlkit

tools for machine learning in condensed matter physics and quantum chemistry

sirmarcel/cmlkit Issues

Hash stability failure in `Dataset` with newer `numpy`
Updated 3 years ago1
Edge case in Dataset.compute_dataset_info
Updated 4 years ago1
Undefined behaviour in Dataset when filename is specified but not name
Updated 4 years ago1
`tid`s for `quippy` interface appear to not be always unique
Closed 5 years ago1
yaml dumping with numpy arrays is ugly
Updated 5 years ago
Drop yaml dumper for son, replace with json
Updated 5 years ago1
Change unit of duration argument in Run.run() to minutes
Closed 5 years ago1
Run context should also be on tape?
Updated 5 years ago