Janosh Riebesell
Janosh Riebesell
Would be cool if the syntax highlighting extended to styled components in markdown code blocks. At present, the extension doesn't pick up on those.
Cool figure! Suggesting some small modifications to make the code more concise and remove some dependencies.
Would be cool if config options could be specified in `setup.cfg` so that they apply both when called from CLI and via `pre-commit`. ```cfg # setup.cfg [nbstripout] drop_empty_cells = true...
The docs for [`MPRester.get_entries_in_chemsys()`](https://github.com/janosh/pymatgen/blob/cb7620d5488b41798791f3f8ed7229bed9b5071d/pymatgen/ext/matproj.py#L863) and `MPRester.get_entry_by_material_id()` seem to be incorrect: https://github.com/janosh/pymatgen/blob/cb7620d5488b41798791f3f8ed7229bed9b5071d/pymatgen/ext/matproj.py#L887-L891 ```py inc_structure (str): If None, entries returned are ComputedEntries. If inc_structure="final", ComputedStructureEntries with final structures are returned. Otherwise, ComputedStructureEntries...
@shyuep What's your stance on converting `pymatgen` tests from `unittest` to `pytest`? I find `pytest`'s functional style to be more concise and easier to read than `unittest`.
[Ab initio random structure searching (AIRSS)](https://airss-docs.github.io) run creates a directory of `.res` result files describing final structures and some high-level properties like Pressure, Volume, Enthalpy, Symmetry for each randomly sampled...
MaterialsProjectCompatibility does not issue a deprecation warning. @rkingsbury said it used to. Was this removed intentionally? Should it be reinstated? ```py from pymatgen.entries.compatibility import MaterialsProjectCompatibility mpc = MaterialsProjectCompatibility() processed_entries =...
`load_dataset` has been inconsistent in [`pymatviz` CI](https://github.com/janosh/pymatviz/runs/7186363286?check_suite_focus=true#step:5:507) occasionally raising ```py UserWarning: Error, hash of downloaded file does not match that included in metadata, the data may be corrupt or altered...
I just noticed there's a problem with `load_dataframe_from_json` when trying to load multi-index dataframes. ```py from matminer.utils.io import load_dataframe_from_json, store_dataframe_as_json import numpy as np import pandas as pd arr =...
The [docs site](http://pydocstyle.org) is lacking an SSL certificate: 