diff --git a/README.rst b/README.rst index e731cfe..22ec0ec 100644 --- a/README.rst +++ b/README.rst @@ -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.