SML_CV

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ModuleNotFoundError: No module named 'tica_metadynamics.pyplumed'

1

Greetings, I am interested in reproducing the results you obtained. I am running the notebook _"SML_CV-master/alanine_example/01-svm_example.ipynb"_. However, I cannot resolve the following error: `ModuleNotFoundError: No module named 'tica_metadynamics.pyplumed'` I already...

EnderAraujo

Training the tICs instead of the features

2

I generated 4 tICs from the 4 dihedral features presented in the attached notebook. Now I want to train the tICs to see which tIC is more dominant over the...

sbhakat