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Changelog

1.4.0 (2021-02-23)

Features

Miscellaneous

  • deps: update xgboost requirement from ~=1.3.0 to ~=1.3.3 (#56) (3722b08)

1.3.0 (2020-12-20)

Features

Miscellaneous

  • added tests (0da09ef)
  • bumping featurizer dependency (241e466)
  • bumping featurizer dependency to new patch release (59aded8)
  • drop base prediction test (4483143)
  • excluding test package/dir (4720b79)
  • excluding test package/dir (9d5ce55)
  • excluding test package/dir (a02e623)

1.2.0 (2020-12-18)

Features

Miscellaneous

  • bumping version of oximachine_featurizer (80b0def)
  • cleanup (cbdee83)
  • cleanup model loading implementation and docstrings (#47) (a8723eb)
  • update example notebook (0472238)
  • updating docs (79ecf19)

1.1.3 (2020-12-15)

Miscellaneous

  • allow to access the feature names (e70a25a)
  • allow to access the feature names (5dabb21)
  • extending tests, ignoring vscode (92d53a3)

1.1.2 (2020-12-15)

Miscellaneous

1.1.1 (2020-12-15)

Bug Fixes

  • return the classes instead of indices, closes #32 (879863f)

Miscellaneous

  • deps: use new oximachine_featurizer (8307ac8)
  • adding macos go github actions (44c0110)
  • fix typo in gh actions (db8762f)
  • removed widget (2b2727e)

1.1.0 (2020-12-15)

Features

  • returning more information (379620b), closes #10

Miscellaneous

  • add md5 of model to repr (5c6eecc)
  • added 3.8 to test matrix (8469b60)
  • added more tests, closes #17 (45ab231)
  • added py3.9 test and docs (7faaf03)
  • added test for MOF model (0961c76)
  • adding repr (c559933)
  • bump feautrizer version (b8094d8)
  • dirty fix: downgrading numpy for docs (f440385)
  • do not install everything on rtd (5b780de)
  • dropping py3.9 support due to numba (5c60148)
  • fix gh actions (3c9daea)
  • github actions for python 3.6 (d5f67e1)
  • need to add path before i import (1097378)
  • pinning dependencies (07bb672)
  • pinning dependencies (7b14c4b)
  • pinning dependencies (63c5d79)
  • pre-commit (89529b0)
  • remove ipynb checkpoint dir (cc17e69)
  • setting up dependabot (a47e8cc)
  • started docs and refactoring dev tools (a5c6d8b), closes #11
  • trying to pinpoint the issue with the docs (396d1cf)
  • trying to pinpoint the issue with the docs (7fc0382)
  • trying to pinpoint the issue with the docs (d8309ec)
  • trying to test code in py3.7 (965709d)
  • trying to use conda for readthedocs (2f65eb7)
  • trying to use conda for readthedocs (21124cd)
  • trying to use conda for readthedocs (a462b86)
  • update pylint settings (df83d8b)
  • updating docs requirements (da6ee2f)
  • updating the actions and docs (921915f)
  • using the featurization method from the oximachine_featurizer package (659fd67)
  • deps: bump xgboost from 1.2.0 to 1.2.1 (1dd9301)
  • deps: update traitlets requirement from ~=4.3.3 to ~=5.0.5 (cc7095c)
  • deps: update xgboost requirement from ~=1.2.0 to ~=1.3.0 (0f6f58b)
  • updating the actions and docs (18d8a20)

v1.0.2 (2020-09-01)

Changes

  • Chore: changelog. [Kevin]
  • Chore: updated readme. [Kevin]
  • Chore: updated changelog. [Kevin]
  • Chore: updated example for new API. [Kevin]
  • Chore: updating manifest. [Kevin]

v1.0.0 (2020-09-01)

New

  • Feat: complete refactoring into OO API. [Kevin]
  • Feat: complete refactoring into OO API. [Kevin]

Changes

  • Chore: preparing release. [Kevin]
  • Chore: dirty commit for checkout. [Kevin]
  • Chore: preparing merge with master and new release. [Kevin]
  • Chore: updating docstrings. [Kevin]
  • Chore: tests migrated to new API. [Kevin]
  • Chore: deleting files. [Kevin]
  • Chore: preparing for all CSD model. [Kevin]
  • Chore: preparing for all CSD model. [Kevin]

Other

  • Merge branch 'master' into multiple_models. [Kevin]
    • preparing release of the new API

v0.2.6 (2020-08-26)

Changes

  • Chore: bumping featurizer dependency. [Kevin]

v0.2.5 (2020-08-26)

Changes

  • Chore: being more specific in MANIFEST. [Kevin]

v0.2.4 (2020-08-26)

Changes

  • Chore: preparing release. [Kevin]
  • Chore: adding requirements to MANIFEST for pypi. [Kevin]
  • Chore: adding requirements to MANIFEST for pypi. [Kevin]
  • Chore: removing large files for pypi release. [Kevin]
  • Chore: removing large files for pypi release. [Kevin]
  • Chore: removing large files for pypi release. [Kevin]
  • Chore: removing large files for pypi release. [Kevin]

v0.2.3 (2020-08-26)

Changes

  • Chore: removing large files for pypi release. [Kevin]
  • Chore: removing large files for pypi release. [Kevin]
  • Chore: removing large files for pypi release. [Kevin]

v0.2.2 (2020-08-26)

New

  • Feat: adding option for model trained on all CSD, updating examples and pinning dependencies. [Kevin]
  • Feat: adding option for model trained on all CSD, updating examples and pinning dependencies. [Kevin]
  • Feat: adding option for model trained on all CSD, updating examples and pinning dependencies. [Kevin]

Changes

  • Chore: preparing next release. [Kevin]
  • Chore: preparing next release. [Kevin]
  • Chore: updating example. [Kevin]
  • Chore: updated changelog. [Kevin]
  • Chore: moving example notebook. [Kevin]
  • Chore: updated readme. [Kevin]
  • Chore: updated changelog. [Kevin]
  • Chore: updated changelog. [Kevin]
  • Chore: updated dependencies. [Kevin]

v0.2.1 (2020-07-31)

New

  • Feat: added widget. [Kevin]
  • Feat: implementing featurizer class directly in this package. [Kevin]

Changes

Fix

  • Imports now cleaner, there is still an ERROR message in installation, but this is just due to pinned version in matminer. [Kevin]
  • Missing six dependency. [Kevin]

Other

  • Merge pull request #2 from kjappelbaum/dependabot/pip/sympy-1.6. [Kevin Jablonka]

    chore(deps): bump sympy from 1.5.1 to 1.6

  • Merge pull request #1 from kjappelbaum/dependabot/pip/pandas-gte-0.22-and-lt-2. [Kevin Jablonka]

    chore(deps): update pandas requirement from <1,>=0.22 to >=0.22,<2

  • Create python-package.yml. [Kevin Jablonka]

v0.2-alpha (2020-06-23)

New

  • Feat: added widget. [Kevin]

v0.1-alpha (2020-06-23)

Changes

Other

  • Merge pull request #2 from kjappelbaum/dependabot/pip/sympy-1.6. [Kevin Jablonka]

    chore(deps): bump sympy from 1.5.1 to 1.6

  • Merge pull request #1 from kjappelbaum/dependabot/pip/pandas-gte-0.22-and-lt-2. [Kevin Jablonka]

    chore(deps): update pandas requirement from <1,>=0.22 to >=0.22,<2

v0.0.1 (2020-05-23)

New

  • Feat: implementing featurizer class directly in this package. [Kevin]
  • Feat: examples in jupyter notebook work. [Kevin]
  • Feat: moving most dependencies directly in this repo. [Kevin]
  • Feat: adding boilerplate - copied form the oximachine app for materialscloud - could be used in the future as example of how to deploy oximachine (which is great!) - still need to fix the dependencies. [Kevin]

Changes

  • Chore: updatin python version. [Kevin]
  • Chore: updating pre-commit hooks. [Kevin]
  • Chore: updating badge. [Kevin]
  • Chore: reran notebook, remove py3.5 from CI. [Kevin]
  • Chore: trying to drop two more dependencies. [Kevin]
  • Chore: trigger CI. [Kevin]
  • Chore: trigger CI. [Kevin]
  • Chore: fixing ci yml file. [Kevin]
  • Chore: finished linting, added versioneer. [Kevin]
  • Chore: first linting. [Kevin]
  • Chore: first linting. [Kevin]

Fix

  • Imports now cleaner, there is still an ERROR message in installation, but this is just due to pinned version in matminer. [Kevin]
  • Missing six dependency. [Kevin]
  • Make subpackage with learnmofox due to the joblib file compatability. [Kevin]
  • Dependencies cleaned and pinned. [Kevin]

Other

  • Create python-package.yml. [Kevin Jablonka]
  • Break: learnmofox as subpackage, import works now. [Kevin]