luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations
MIT License
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Add committor code #132

Closed EnricoTrizio closed 3 months ago

EnricoTrizio commented 4 months ago

Description

Add committor code to the library with some utils and a short tutorial notebook, likely to be refined in the near future

Status

codecov[bot] commented 3 months ago

Codecov Report

Attention: Patch coverage is 95.23810% with 6 lines in your changes are missing coverage. Please review.

Project coverage is 92.59%. Comparing base (14d2711) to head (39b5f8e).

Additional details and impacted files