Cryojax

Latest version: v0.3.0

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0.3.0

Major version release of `cryojax`. This have two major components:

- An API overhaul to support more complex scattering theories in the future
- Significant advancements and documentation in computing images / volumes from atoms. In particular, a new API and massive speedups for computing voxel grids from atoms, and an implementation for computing projected potentials directly from atoms.

Additionally, a grid search API is added to `cryojax.inference`. This addition is slightly experimental and could be branched into a separate package in the future.

What's Changed
* API Update in preparation for supporting more complex scattering theories. by mjo22 in https://github.com/mjo22/cryojax/pull/212
* Add a grid search API in cryojax.inference by mjo22 in https://github.com/mjo22/cryojax/pull/207
* implement centering atoms closes 220 by DSilva27 in https://github.com/mjo22/cryojax/pull/221
* API re-vamp of the atoms -> voxel grid pipeline. by mjo22 in https://github.com/mjo22/cryojax/pull/216
* implement gaussian mixture atomic potential integrator closes 224 by DSilva27 in https://github.com/mjo22/cryojax/pull/225
* Speedup in voxel grid computation by mjo22 in https://github.com/mjo22/cryojax/pull/231

New Contributors
* DSilva27 made their first contribution in https://github.com/mjo22/cryojax/pull/221

**Full Changelog**: https://github.com/mjo22/cryojax/compare/v0.2.3...v0.3.0

0.3.0rc2

Second pre-release for `0.3.0` major version release of `cryojax`. This pre-release is to test API updates that build the scattering potential.

0.3.0rc1

Pre-release for major version release of `cryojax`. The largest feature is a new API which will allow for more complex scattering approximations.

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

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