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@janosh janosh released this 02 May 11:42
· 19 commits to main since this release
v0.16.0
2992f02

What's Changed

  • Add py-pkg-treemap() #290
  • Add color_scale param to allow for linear, logarithmic, arcsinh scaling of property values in cluster_compositions #288
  • refactor cluster_compositions to take DataFrame as 1st arg, not composition list #287
  • Test example scripts with uv run in CI #286
  • New cluster module with functions for embedding, projecting and scattering compositions #285
  • spacegroup_sunburst and chem_sys_sunburst: add keywords max_slices and max_slices_mode: other | none #284
  • Multi-trace plotly powerups #283
  • brillouin_zone_3d now supports multiple structures/atoms in customizable grid layouts #282
  • Add max_cells: int | None keyword to chem_sys_treemap #281
  • structure_(2|3)d_plotly enable gradient-colored bonds #280
  • Auto font color for high contrast of element symbols in ptable_heatmap_splits_plotly #279
  • Update luminance calculation to use WCAG 2.0 standard coefficients #278
  • Fix structure_2d_plotly rotation keyword not applying to unit cell #276
  • spglib to moyo #275
  • fix bond drawing in structure_3d_plotly with better image atom handling #274
  • Use SI suffix number format in ptable colorbar tick labels #273
  • fix error in docstring #271
  • Remove matplotlib-based periodic table plotting functions #270
  • Ward metallic glasses train/val/test splits #269
  • Codecov #268
  • Support per-split colorbars and colorscales in ptable_heatmap_splits_plotly() #267
  • add enhance_parity_plot() powerup #266
  • add treemap.py with new chem_sys_treemap plot function #265
  • add chem_sys_sunburst() to pymatviz/sunburst.py to visualize chemical system distributions #264
  • test metallic glass feature engineering and model evaluation f0c5174
  • better colorbar tick formatting and spacing in density_scatter_plotly d1d51b4
  • RDF plotting hide legend for single structure dc8a1a2
  • fix confusion_matrix() mismatch of false-positive/negative counts and heatmap color ae5b629
  • contrast_ratio() in pymatviz/utils/plotting.py to calculate color contrast according to WCAG 2.0 b7c30cf
  • Add script to fetch and update papers citing pymatviz (#277) 6a2b831
  • add examples/mlip_phonons.py 608a12f
  • clean up examples/diatomics/calc_mlip_diatomic_curves.py and support multiple ML models d6fe3d9
  • add examples/compare_elastic_constants.py testing MACE vs MP PBE 2861298
  • Refactor ROC and PR curve no-skill line plotting 6d68cc1
  • readme.md add links to source and example code for each plot function 65ccb7c
  • add assets/scripts/key_enum_table.py to visualize Key enum attributes with Plotly 0598bb5
  • delete unused enums Model + ElemColorMode ee296bc
  • fix ptable_heatmap_splits_plotly() incorrectly handling hide_f_block keyword resulting in missing tiles for Rf 104 through Og 118 b9ccbf0
  • force LabelEnums to have labels, gives .label type str causing less mypy headache a6825ff

Full Changelog: v0.15.1...v0.16.0

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