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Update README.rst
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Dingel321 authored Apr 4, 2024
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Expand Up @@ -136,6 +136,9 @@ The training config file should be a json file with the following structure:
"BATCH_SIZE": 256
}
When training posterior for your own system, it's important to change THETA_SCALE and THETA_SHIFT. These two parameters normalize the conformational variable in cryoSBI.
THETA_SHIFT and THETA_SCALE need to be adjusted according to the number of structures used in the prior. A good option is to set THETA_SHIFT and THETA_SCALE to the number of structures in the prior divided by two.

Loading the posterior after training
------------------------------------
After training the estimator, loading it in Python can be done with the load_estimator in the estimator_utils module.
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