v0.5.0

What's Changed

• ❗Implement m3gnet's DFT surrogate structure relaxation during decoding and use by default by @sgbaird in #100.
  • (Much thanks to @shyuep for support on this)
• fit method for feature ranges by @sgbaird in #91 as suggested by @kjappelbaum
• encode vs. decode symprec, angle_tolerance, and primitive options by @sgbaird in #97
• Use pymatgen StructureMatcher as initial check and preprocesser before detailed matching by @sgbaird in #85
• Use get_refined_structure with symprec and angle_tolerance during decoding by @sgbaird in #86
• denoising diffusion notebook and script by @sgbaird and @hasan-sayeed in #70

Other Changes

• Paper by @sgbaird in #67
• remove code graveyards by @sgbaird in #68
• minor joss paper fixes by @sgbaird in #69
• update paper affiliations by @sgbaird in #72
• Update run_grayskull.py with section order sorting by @sgbaird in #71
• replace strange characters with normal characters in chemical formula by @sgbaird in #74
• denoising diffusion probabilistic model script by @sgbaird in #73
• Create 2.2-xgboost-matbench-benchmark.ipynb by @sgbaird and @cseeg in #78
• running ddpm from pretrained model and sampling by @sgbaird in #77
• plot of the equimolar elemental contributions using pymatviz by @sgbaird in #87
• fixup :func: reference by @sgbaird in #88
• Update 2.0-materials-project-feature-ranges.ipynb with output cells by @sgbaird in #90
• add attributions section by @sgbaird in #92
• links to google imagen by @sgbaird in #93
• fill distance_matrix diagonals with zeros in arrays_to_structures by @sgbaird in #95
• modify structures directly instead of appending to a new list by @sgbaird in #99
• update README and ipynb with m3gnet usage (/fixup syntax) by @sgbaird in #101

Full Changelog: v0.4.0...v0.5.0