Releases: kjappelbaum/pyepal
Releases · kjappelbaum/pyepal
pyepal v0.7.0
pyepal v0.6.2
pyepal v0.6.1
pyepal v0.6.0
pyepal v0.5.0
Features
- Add learning curve plot (#150) (1a9766b)
- added new non-dimensional metric (#161) (91588be)
- added new sampling options (#148) (9ee846d)
- adding option to sample without dimensionless uncertainties (#159) (431919c)
- allow to change the rank of the ICM models (#151) (0ea8bab)
- Replace by measurement (#160) (3d7b1f9)
Bug Fixes
- add description (#157) (e260cb1)
- also include subpackages (#145) (6a5d868)
- closes #153 (#155) (51c2e67)
- jax not imported on top level (#158) (113a242)
- only install pyepal package (#138) (33d2d53)
Documentation
pyepal v0.4.2
pyepal v0.4.1
pyepal v0.4.0
pyepal v0.3.0
Features
- added hv indicator, closes #16 (bf6f997)
- added new example notebook, closes #30 (#61) (e4f249a)
- added sampling utils (ec235ef)
- added uncertainty wts property (#42) (45f38a4)
- Adding plotting subpackage (#48) (198ccd7), closes #23 #23 #35
- adds residual vs fitted plotting function (#100) (e3c17fe)
- Batch sampling (#33) (44903ef)
- first steps to make it nan-compatible, addressing #24 (8ac2796)
- first steps to make it nan-compatible, addressing #24 (c8fcd17)
- first steps to make it nan-compatible, addressing #24 (eb34ecc)
- Implement mulitprocessing support for GPy and sklearn (#41) (7152ab8), closes #36 #36
- Implemented first version of PALGBDT (#75) (e60f073)
- implemented kwargs for filtering based on the coefficient of variation, closes #58 (96d73da)
- implemented PALSklearn (be13d52)
- implemented turn_to_maximization (9d997d3)
- implemented update_train_set function (f01c87c)
- implementing cross validation routine to address #45 (#49) (2d764e7)
- PALCoregionalized implemented (99cc62d)
- PALGPy class (9ee8ea2)
- renaming package, addressing #5 (3d4c876)
- renaming package, addressing #5 (07b9d60)
- renaming package, addressing #5 (8a0e777)
- renaming package, addressing #5 (ab2ae2a)
- renaming package, addressing #5 (e58b93f)
- renaming package, addressing #5 (0670b10)
- renaming package, addressing #5 (0134548)
- testing and refactoring of the plotting module (c52df03), closes #102 #105
- use the actual sampled data and not the GPR predictions. Adressing #7 (410ca37)
- warning for too low variance, closes #45 and #50 (a7731c9)
Bug Fixes
- activating Python Package CI (910de35)
- coverage command in workflow was broken (19e5f70)
- crossvalidation returned only nan due to wrong if (a541263)
- export SKIP env variable in the pre-commit step (9616b47)
- indices in test fixed (6009fc5)
- install package for python package workflow (59a470b)
- installing pylint for pre-commit CI workflow (8f5a75c)
- need GPy for the Pythonpackage workflow (a1b137b)
- omit for report of coverage (ff25aa6)
- pareto_classify did not for as expected #4 (0c90a28)
- replace nan MAE by inf (676f7f2)
- should also work with 3.6 (b9781ca)
- should also work with 3.6 (f05e0eb)
- should also work with 3.8 (4e3034f)
- start iteration count at 1 (ee1b513)
- took two times sqrt in coregionalized pal (bc15ce5)
- training function for PALSklearn fixed (da43d81)
- uncertainity region test no longer failing (c0eb05c)
- warning message for mae_variance comparison (4b6aeb2)
Documentation
- added docstring to the PAL classes #40 (#43) (f60edd1)
- added note about coef_var_threshold, closes #71 (c6961ab)
- added some first dicussion about the hyperparameters (d40dc09)
- added some first dicussion about the hyperparameters (606a77c)
- added some hints about GPR, closes #44 (#46) (41d40b7)
- added some links to API docs, explain which class to use. Closes #78 ([#80](https:/...
v0.2.0
Features
Documentation
- change to sphinx-books-theme (46642f0)
- change to sphinx-books-theme (e66dae9)
- cleanup README; add link to chemrxiv (#85) (7c57043)
- correct minor typos (eddee97)
- fix edit button link, closes #96 (91614f5)
- fix typo in readme (6b085ba)
- fixing link to docs in readme, link tutorials to binder (e0e78d7)
- link to chemrxiv, closes #66 (d3dfb4a)
- reorder tabs; fix minor typos; update reference title (330cfb2)
- reorganize badges (c8f5f09)
- shortening the links to the API docs, do not show private API (940607f)
- updated installation instructions (6ba0ee7)