Cryojax

Latest version: v0.2.3

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0.2.3

What's Changed
* fixes to allow for runtime type checking in tests by mjo22 in https://github.com/mjo22/cryojax/pull/190
* Add dynamic type hints for image shapes at run-time by mjo22 in https://github.com/mjo22/cryojax/pull/192
* Renaming that gives coordinate systems that are in pixels an “_in_pixels” ending by mjo22 in https://github.com/mjo22/cryojax/pull/193
* Change recommendation for how to instantiate pytrees with vmap by mjo22 in https://github.com/mjo22/cryojax/pull/202
* Fix bug that stops gradients with respect to rotations and pixel size rescalings by mjo22 in https://github.com/mjo22/cryojax/pull/195
* Move the accelerating voltage from the `CTF` to the `Instrument` by mjo22 in https://github.com/mjo22/cryojax/pull/200


**Full Changelog**: https://github.com/mjo22/cryojax/compare/v0.2.2...v0.2.3

0.2.3rc1

0.2.2

What's Changed
* Implement RELION dataloaders by mjo22 in https://github.com/mjo22/cryojax/pull/183
* Debug workflows by mjo22 in https://github.com/mjo22/cryojax/pull/189

New Contributors
* dependabot made their first contribution in https://github.com/mjo22/cryojax/pull/187

**Full Changelog**: https://github.com/mjo22/cryojax/compare/v0.2.1...v0.2.2

0.2.2rc1

0.2.1

What's Changed
* doc updates by mjo22 in https://github.com/mjo22/cryojax/pull/171
* Drop jaxlie and create interface for parameter transforms by mjo22 in https://github.com/mjo22/cryojax/pull/172
* First pass at a cryojax.core submodule by mjo22 in https://github.com/mjo22/cryojax/pull/174
* Reorganization of the ImagePipeline by mjo22 in https://github.com/mjo22/cryojax/pull/178


**Full Changelog**: https://github.com/mjo22/cryojax/compare/v0.2.0...v0.2.1

0.2.0

Many things have happened since the last release. I apologize for the useless release notes, going to start being more consistent about version control!

<details>
<summary> Click here for release notes </summary>

What's Changed
* README update---jax-finufft with GPU support is being implemented by mjo22 in https://github.com/mjo22/cryojax/pull/23
* Update test_serialize.py by ehthiede in https://github.com/mjo22/cryojax/pull/25
* general updates for helix branch by mjo22 in https://github.com/mjo22/cryojax/pull/26
* 🪝 We have working hooks 🪝 by ehthiede in https://github.com/mjo22/cryojax/pull/27
* Simulate xyz by ehthiede in https://github.com/mjo22/cryojax/pull/28
* working badges by mjo22 in https://github.com/mjo22/cryojax/pull/31
* NotImplementedError should be used to avoid confusion by mjo22 in https://github.com/mjo22/cryojax/pull/32
* update helix branch by mjo22 in https://github.com/mjo22/cryojax/pull/33
* Add API updates to helix branch by mjo22 in https://github.com/mjo22/cryojax/pull/34
* Add API update to Helix branch. See the pull request into simulate_xyz for details by mjo22 in https://github.com/mjo22/cryojax/pull/36
* Create Assembly base class by mjo22 in https://github.com/mjo22/cryojax/pull/37
* kw_only can lead to weird behavior. in general, explicitly write __in… by mjo22 in https://github.com/mjo22/cryojax/pull/39
* move observed data outside of the ImagePipeline by mjo22 in https://github.com/mjo22/cryojax/pull/40
* Removed PyCistem as a dependency, updated workflow accordingly. by ehthiede in https://github.com/mjo22/cryojax/pull/42
* Merge pull request 42 from ehthiede/main by mjo22 in https://github.com/mjo22/cryojax/pull/43
* Update test-multiatom.ipynb, issue 45 by aevans1 in https://github.com/mjo22/cryojax/pull/47
* Overhaul the cryojax API, improve packaging by mjo22 in https://github.com/mjo22/cryojax/pull/63
* Buffer module does not allow gradients. ImageManager initial commit. by mjo22 in https://github.com/mjo22/cryojax/pull/64
* Masks and filters now do not make their own coordinates by getting th… by mjo22 in https://github.com/mjo22/cryojax/pull/65
* accept rng keys as input by mjo22 in https://github.com/mjo22/cryojax/pull/66
* Update README.md by mjo22 in https://github.com/mjo22/cryojax/pull/67
* update helix branch by mjo22 in https://github.com/mjo22/cryojax/pull/69
* updates, such helical bug fix, arbitrary image shapes, and reorganizing projection normalization by mjo22 in https://github.com/mjo22/cryojax/pull/70
* committed in wrong branch... by mjo22 in https://github.com/mjo22/cryojax/pull/71
* fixed tests not passing by mjo22 in https://github.com/mjo22/cryojax/pull/72
* Ensemble refactor by mjo22 in https://github.com/mjo22/cryojax/pull/73
* refactored assembly pipeline, ability to read stacked electron densities, and functionality to compensate in specimen by mjo22 in https://github.com/mjo22/cryojax/pull/74
* Add some logic to get rid of unnecessary FFTs in assembly pipeline by mjo22 in https://github.com/mjo22/cryojax/pull/76
* starting 51. resolution should be a parameter of the scattering meth… by mjo22 in https://github.com/mjo22/cryojax/pull/77
* updates for resolution by mjo22 in https://github.com/mjo22/cryojax/pull/78
* rename specimen to ensemble. voxel_size is now a parameter. by mjo22 in https://github.com/mjo22/cryojax/pull/79
* update readme by mjo22 in https://github.com/mjo22/cryojax/pull/80
* resolution -> pixel_size by mjo22 in https://github.com/mjo22/cryojax/pull/81
* updates by mjo22 in https://github.com/mjo22/cryojax/pull/82
* Make the detector pixel size much more clear by mjo22 in https://github.com/mjo22/cryojax/pull/84
* Update _electron_density.py by mjo22 in https://github.com/mjo22/cryojax/pull/86
* Simulate xyz by ehthiede in https://github.com/mjo22/cryojax/pull/92
* Added some tests for the new simulate_xyz code by ehthiede in https://github.com/mjo22/cryojax/pull/94
* Pixel size refactor by mjo22 in https://github.com/mjo22/cryojax/pull/93
* Simulate xyz by ehthiede in https://github.com/mjo22/cryojax/pull/96
* Improvement to test installation in workflow by ehthiede in https://github.com/mjo22/cryojax/pull/95
* Coordinate refactor by mjo22 in https://github.com/mjo22/cryojax/pull/97
* update helix branch by mjo22 in https://github.com/mjo22/cryojax/pull/99
* Chop JSON serialization functionality. use equinox or pickle instead. by mjo22 in https://github.com/mjo22/cryojax/pull/104
* Add metadata to dataclass fields to specify if we want to stack a particular field by mjo22 in https://github.com/mjo22/cryojax/pull/98
* Simplify the ImagePipeline and refactor the Distribution class by mjo22 in https://github.com/mjo22/cryojax/pull/100
* FFTs on the half space and file loader simplifications. by mjo22 in https://github.com/mjo22/cryojax/pull/105
* Build electron density distributions from atomic models in cryojax by mjo22 in https://github.com/mjo22/cryojax/pull/107
* Refactor the Ensemble, ElectronDensity, and Conformation by mjo22 in https://github.com/mjo22/cryojax/pull/106
* update helix by mjo22 in https://github.com/mjo22/cryojax/pull/110
* Packaging updates by mjo22 in https://github.com/mjo22/cryojax/pull/111
* extensive testing updates by mjo22 in https://github.com/mjo22/cryojax/pull/112
* Specimen revamp to avoid confusion with ElectronDensity indexing by mjo22 in https://github.com/mjo22/cryojax/pull/114
* Create final tests for helix branch by mjo22 in https://github.com/mjo22/cryojax/pull/113
* update helix by mjo22 in https://github.com/mjo22/cryojax/pull/115
* ImageOperators unify Filters, Masks, and Kernels by mjo22 in https://github.com/mjo22/cryojax/pull/117
* rename operator machinery by mjo22 in https://github.com/mjo22/cryojax/pull/118
* Make more use of fourier operators by mjo22 in https://github.com/mjo22/cryojax/pull/119
* ImagePipeline cleanup by mjo22 in https://github.com/mjo22/cryojax/pull/120
* expanding on operators and stochastic models by mjo22 in https://github.com/mjo22/cryojax/pull/121
* passes through ice and detector models by mjo22 in https://github.com/mjo22/cryojax/pull/122
* Expand instrument object by mjo22 in https://github.com/mjo22/cryojax/pull/123
* change LICENSE by mjo22 in https://github.com/mjo22/cryojax/pull/124
* pass to ScatteringModel was confusing by mjo22 in https://github.com/mjo22/cryojax/pull/125
* move pixel_size to the ImageManager. this only makes sense... by mjo22 in https://github.com/mjo22/cryojax/pull/126
* Atom loading refactor and Added ability to load mdtraj trajectories by ehthiede in https://github.com/mjo22/cryojax/pull/127
* Close helix branch by mjo22 in https://github.com/mjo22/cryojax/pull/132
* radial average patch. should be using jax.numpy.take to put on grid by mjo22 in https://github.com/mjo22/cryojax/pull/134
* interpolation fixes. add cubic spline option by mjo22 in https://github.com/mjo22/cryojax/pull/137
* Simplify electron density by getting rid of indexing. The Ensemble should just get a tuple. by mjo22 in https://github.com/mjo22/cryojax/pull/136
* update map_coordinates API and type checking by mjo22 in https://github.com/mjo22/cryojax/pull/139
* Interpolation artifacts by mjo22 in https://github.com/mjo22/cryojax/pull/142
* Packaging updates by mjo22 in https://github.com/mjo22/cryojax/pull/143
* non redundant __init__.py by mjo22 in https://github.com/mjo22/cryojax/pull/145
* improve nasty inits by mjo22 in https://github.com/mjo22/cryojax/pull/146
* cleaner assembly pipeline by mjo22 in https://github.com/mjo22/cryojax/pull/147
* Move to abstract/final pattern in equinox by mjo22 in https://github.com/mjo22/cryojax/pull/148
* Rotation logic is more clear. Now, AbstractPose rotation parameters by default define a rotation of the real space volume. Before, they were with respect to a fourier space volume. by mjo22 in https://github.com/mjo22/cryojax/pull/150
* improve loaders by mjo22 in https://github.com/mjo22/cryojax/pull/151
* Get rid of setup.py by mjo22 in https://github.com/mjo22/cryojax/pull/152
* Docs by mjo22 in https://github.com/mjo22/cryojax/pull/154
* Get rid of file loaders in the electron density by mjo22 in https://github.com/mjo22/cryojax/pull/155
* Fixed image tutorial by Miro-Astore in https://github.com/mjo22/cryojax/pull/157
* update starfile branch by mjo22 in https://github.com/mjo22/cryojax/pull/163
* better names for ctf parameters by mjo22 in https://github.com/mjo22/cryojax/pull/164
* update by mjo22 in https://github.com/mjo22/cryojax/pull/165
* added relion star file and mrcs file. 10 images with 48x48 images by Miro-Astore in https://github.com/mjo22/cryojax/pull/160
* starfile image stack by mjo22 in https://github.com/mjo22/cryojax/pull/166
* First pass at simulating images in physical units by mjo22 in https://github.com/mjo22/cryojax/pull/162
* Pose upgrades! by mjo22 in https://github.com/mjo22/cryojax/pull/168
* offset renaming by mjo22 in https://github.com/mjo22/cryojax/pull/169
</details>

New Contributors
* ehthiede made their first contribution in https://github.com/mjo22/cryojax/pull/25
* aevans1 made their first contribution in https://github.com/mjo22/cryojax/pull/47
* Miro-Astore made their first contribution in https://github.com/mjo22/cryojax/pull/157

**Full Changelog**: https://github.com/mjo22/cryojax/compare/v0.1.4...v0.2.0

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