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mjo22 / cryojax

Cryo electron microscopy image simulation and analysis built on JAX.
https://mjo22.github.io/cryojax/
GNU Lesser General Public License v2.1
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implement gaussian mixture atomic potential integrator closes #224 #225

Closed DSilva27 closed 6 months ago

DSilva27 commented 6 months ago

Implemented the class that integrates a GMM potential without converting it onto a volume first. Fixed some small issues in the gemmi parsers as well.

mjo22 commented 6 months ago

This looks great. There is a small bug I think though. You have the type hint for the upsampling_factor to be float | int, but you compute the upsampled shape assuming its an int. We can either support the case of float (which could actually be slightly annoying with the implementation of downsample_with_fourier_cropping function I have), or we could just support int?

mjo22 commented 6 months ago

Merging and re-opening in new branch!