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1. mlcolvar mlcolvar Public

   A unified framework for machine learning collective variables for enhanced sampling simulations

   Python 127 34

2. DEAL DEAL Public

   Data efficient active learning for machine learning potentials

   Jupyter Notebook 10 2

3. data-driven-CVs data-driven-CVs Public

   Supporting material for the paper "Data driven collective variables for enhanced sampling"

   Brainfuck 20 5

4. deep-learning-slow-modes deep-learning-slow-modes Public

   Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"

   Roff 21 10

5. fessa-color-palette fessa-color-palette Public

   Python 6 3