Anthony Onwuli
Anthony Onwuli
The code coverage for SMACT can be reviewed here: https://app.codecov.io/gh/WMD-group/SMACT/tree/master/smact I would like to bring particular attention to the following modules: | module | coverage (%) | | --- |...
Do we feel that there'd be any benefit to making our SMACT examples available to run in a browser using binder (https://mybinder.org) and/or colab (https://colab.research.google.com)? The main inspiration for this...
https://github.com/WMD-group/ElementEmbeddings/actions/runs/6428886168 The UMAP plotter test, using pytest-mpl is failing the CI for all python versions and OSs except (Ubuntu on python 3.8 and 3.9).
Create a feature which allows a user to compare the element similarity maps in a quantitative manner: - Normalise - Binary cross-entropy - KL divergence - T-SNE (2D plots of...
Currently only seaboard (which is built-on matplotlib) is used for visualisations. Plotly could be integrated into the package in a future update to allow for interactive plots, and the plotting...
Currently, Pymatgen is a dependency only for loading in the Mendeleev numbers in order to sort the correlation plots. The entire Pymatgen package is not necessary for this, so a...
### Code snippet ```python from mp_api.client import MPRester with MPRester(use_document_model=False) as mpr: bs = mpr.get_bandstructure_by_material_id("mp-23") ``` ### What happened? I am attempting to get the bandstructure of a material using...
Adopt ruff as a linter and formatter for the codebase
# Overhauling the documentation ## Description N/A Closes #67 Closes #297 ## Type of change Please delete options that are not relevant. - [x] New feature (non-breaking change which adds...
Adopt ruff as a linter and formatter for the codebase