Releases | Open Source Science

matminer - v0.9.3

This release contains the usual dependency compatibility updates, as well as:

new impute_nan setting to many featurizers, that allows missing features to be imputed automatically as the mean of the remainder of that column. This is particularly helpful when e.g., trying to use a feature that uses elemental data on a dataset where maybe one row contains an element not present in the dataset (#892)
added a featurizer based on elemental pseudo-inverse of tabulated optical/transport data (#892)

What's Changed

Optical and transport data as elemental pseudo-inverse contributions by @gbrunin in https://github.com/hackingmaterials/matminer/pull/892
Do not run test PyPI build on forks by @ml-evs in https://github.com/hackingmaterials/matminer/pull/933
Added missing impute_nan for WenAlloys and removed unnecessary warning by @gbrunin in https://github.com/hackingmaterials/matminer/pull/937
Suppress pymatgen element data warnings when imputing by @ml-evs in https://github.com/hackingmaterials/matminer/pull/934
Disable release creation workflow on forks by @gbrunin in https://github.com/hackingmaterials/matminer/pull/940
Bug fixes in pseudo inverse computations by @gbrunin in https://github.com/hackingmaterials/matminer/pull/942
Disable test PyPI build by @ml-evs in https://github.com/hackingmaterials/matminer/pull/941
Automatic deps upgrades by @ml-evs in https://github.com/hackingmaterials/matminer/pull/944
spglib 2.5 compatibility by @esoteric-ephemera in https://github.com/hackingmaterials/matminer/pull/943
Support NumPy 2 by @DanielYang59 in https://github.com/hackingmaterials/matminer/pull/949

New Contributors

@gbrunin made their first contribution in https://github.com/hackingmaterials/matminer/pull/892
@esoteric-ephemera made their first contribution in https://github.com/hackingmaterials/matminer/pull/943

Full Changelog: https://github.com/hackingmaterials/matminer/compare/v0.9.2...v0.9.3

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Published by ml-evs over 1 year ago

matminer - v0.9.2

This release simply removes the upper bound on pandas v2, which, since the changes implemented in v0.9.1, is no longer necessary.

What's Changed

Attempt to release the pandas pin by @ml-evs in https://github.com/hackingmaterials/matminer/pull/929
Automated dependency upgrades by @tschaume in https://github.com/hackingmaterials/matminer/pull/930

Full Changelog: https://github.com/hackingmaterials/matminer/compare/v0.9.1...v0.9.2

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Published by ml-evs almost 2 years ago

This release contains several compatibility fixes across tests and dependencies, including support for the latest numpy and pymatgen versions. Dependencies have been tightened to make sure that any future incompatibilities do not render this package entirely unusable. Users are encouraged to install the pinned dependencies from requirements/*.txt if they run into any issues.

What's Changed

Linting and test updates by @ml-evs in https://github.com/hackingmaterials/matminer/pull/912
Prevent warning in fingerprint.py during yaml.safe_load by @afonari in https://github.com/hackingmaterials/matminer/pull/914
Fix maximum element failure by @JaGeo in https://github.com/hackingmaterials/matminer/pull/921
Begin unpicking dependency issues by @ml-evs in https://github.com/hackingmaterials/matminer/pull/922
Correct valence electron numbers by @DanielYang59 in https://github.com/hackingmaterials/matminer/pull/917
Reintroduce pandas pin and update code for numpy 1.24+ by @ml-evs in https://github.com/hackingmaterials/matminer/pull/925
More dependency upgrades: support for latest pymatgen and numpy by @ml-evs in https://github.com/hackingmaterials/matminer/pull/928

New Contributors

@afonari made their first contribution in https://github.com/hackingmaterials/matminer/pull/914
@JaGeo made their first contribution in https://github.com/hackingmaterials/matminer/pull/921
@DanielYang59 made their first contribution in https://github.com/hackingmaterials/matminer/pull/917

Full Changelog: https://github.com/hackingmaterials/matminer/compare/v0.9.0...v0.9.1

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Published by ml-evs almost 2 years ago

matminer - v0.9.0

What's Changed

Add hint how to avoid OOM errors to BaseFeaturizer.set_n_jobs() doc str by @janosh in https://github.com/hackingmaterials/matminer/pull/894
Add ability to customize BaseFeaturizer pbar by passing dict by @janosh in https://github.com/hackingmaterials/matminer/pull/893
Assign __init__ arg to instance attribute to fix sklearn base __repr__ by @ml-evs in https://github.com/hackingmaterials/matminer/pull/896
Fixes for CI and tests by @ml-evs in https://github.com/hackingmaterials/matminer/pull/901
Optimize BandCenter and IntersticeDistribution featurizers by @ml-evs in https://github.com/hackingmaterials/matminer/pull/897
Prequel to dependency upgrades by @ml-evs in https://github.com/hackingmaterials/matminer/pull/903
Skip the thermo tests rather than crash if MP API is missing by @ml-evs in https://github.com/hackingmaterials/matminer/pull/905
Defer MPRester import to allow it to act more like an optional dep by @ml-evs in https://github.com/hackingmaterials/matminer/pull/906

New Contributors

@ml-evs made their first contribution in https://github.com/hackingmaterials/matminer/pull/896

Full Changelog: https://github.com/hackingmaterials/matminer/compare/v0.8.0...v0.9.0

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Published by ml-evs over 2 years ago

matminer - v0.8.0

Version 0.8.0

Commits

[97a0bc6a] trying again ... (#890)
[6a34b631] rm publishPackage workflow_dispatch
[2ef3a560] update docs
[c67904f1] yet another description change (#889)
[5ef7d3cc] try explicitly checking out main
[48e652de] minor description change (#888)
[1fdd6983] update docs
[d6392009] release workflow_dispatch
[0c53b605] set git user
[d1298264] add description (#887)
[0d65adc8] Automated dependency upgrades (#886)
[aabebc3b] add sphinx dep
[f4f450ad] work on release through github actions (#885)
[a0ae13d8] also pull tags for scm version
[78ce6d6b] merge docs build into release
[34c569e9] skip tests for now
[c7625801] only run tests on changes in matminer subdir
[08f1dae7] fix action typo
[cb8634d9] add docs and release to github actions
[e59bb209] echo tests
[ca7fa1ea] no-deps
[ff38fea5] Automated dependency upgrades (#884)
[bf1d37c1] cache-dependency-path 2
[fc5d9b85] dependabot not needed anymore
[7f6a1c1a] cache-dependency-path
[b770dac1] update all test actions
[10b3d9ab] move jsonschema to mpds extra
[26b0e37d] update github actions
[5d9c661a] include dev dependencies
[61c5f3e7] add requirements files (pip-compile)
[3f742f3f] setup.py: explicitly list dependencies
[a0f754a0] delete old requirements files
[8f1742e5] add upgrade-dependencies action
[7f8520b9] reformat to make linter happy
[e8bacc12] reformat
[0f6f62c6] allow for automatic retries of dataset downloads, plus alter tests (attempt to fix hash problem that fails tests randomly)
[4a86c0a2] Merge pull request #839 from hackingmaterials/dependabot/pip/ujson-5.4.0
[66b2163d] format fix
[618f6f71] fix linting
[ead30fea] Merge pull request #809 from jacksund/main
[886524ab] Merge pull request #841 from janosh/crystal-nn-fingerprint-docs
[2dd87615] explain meaning of 'cn' | 'ops' in CrystalNNFingerprint.from_preset doc string
[19e73191] Bump ujson from 5.2.0 to 5.4.0
[b3e29548] fix psitestats tests
[d471b57e] Merge branch 'hackingmaterials:main' into main

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Published by tschaume over 3 years ago

matminer - v0.7.8

manual base release for new github actions

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Published by computron over 3 years ago

matminer - v0.7.6

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Published by computron about 4 years ago

matminer - v0.7.6

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Published by computron about 4 years ago

matminer - v0.7.4

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Published by computron over 4 years ago

matminer - v0.7.3

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Published by computron over 4 years ago

matminer - v0.7.2

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Published by computron over 4 years ago

matminer - v0.7.0

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Published by computron over 4 years ago

matminer - v0.6.5

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Published by computron about 5 years ago

matminer - v0.6.4

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Published by computron over 5 years ago

matminer - v0.6.3

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Published by computron almost 6 years ago

matminer - v0.6.2

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Published by computron over 6 years ago

matminer - v0.6.0

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Published by computron over 6 years ago

matminer - v0.5.9

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Published by computron over 6 years ago

matminer - v0.5.8

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Published by computron over 6 years ago

matminer - v0.5.7

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Published by computron over 6 years ago

matminer - v0.5.6

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Published by computron almost 7 years ago

matminer - v0.5.5

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Published by computron almost 7 years ago

matminer - v0.5.4

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Published by computron almost 7 years ago

matminer - v0.5.3

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Published by computron about 7 years ago

matminer - v0.5.1

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Published by computron about 7 years ago

matminer - v0.5.0

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Published by computron about 7 years ago

matminer - v0.4.9

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Published by computron about 7 years ago

matminer - v0.4.8

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Published by computron about 7 years ago