Andrew S. Rosen

Results 218 issues of Andrew S. Rosen

### What would you like to report? Currently, there is no standalone Python module to make an OMC-compatible VASP input set. There is a script in the `fairchem.data.omc.scripts` folder, but...

### What would you like to report? Currently, there is no `fairchem-data-odac` package. It would be convenient to have one to match that of oc, omat, omc, and omol.

### Python version 3.12.8 ### fairchem-core version 2.10.0 ### pytorch version N/A ### cuda version N/A ### Operating system version _No response_ ### Minimal example The `huggingface-hub` package just updated...

bug

### What would you like to report? I would like to cite specific models, such as eSEN-30M-OAM. Ideally, I would like someone 5 years into the future to be able...

question

### What would you like to report? This issue is to track support for numpy>=2.3.0. https://github.com/facebookresearch/fairchem/blob/038d54f99592480f9117182c78ba45e46d0a50d9/packages/fairchem-core/pyproject.toml#L13

The POTCAR hash-based validity checking should be removed. Here are two open issues where this sentiment was raised: https://github.com/materialsproject/pymatgen/issues/4467 > I think this is really an unnecessary level of complexity...

### Python version 3.11 ### Pymatgen version 2025.6.14 ### Operating system version _No response_ ### Current behavior Pymatgen is returning `UnknownPotcarWarning` for a valid `POTCAR`, which may cause some unnecessary...

bug
vasp

If someone is feeling eager to do so, this repo desperately needs unit tests. Even some basic functional tests would be great.

### What new feature would you like to see? https://github.com/aiidateam/aiida-workgraph

enhancement