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Author:
Enrico Trizio, Andrea Rizzi, Michele Parrinello
License:
MIT
Summary:
Machine learning collective variables for enhanced sampling
Latest version:
1.3.1
Required dependencies:
kdepy
|
lightning
|
matplotlib
|
numpy
|
pandas
|
pydantic
|
scikit-learn
|
scipy
|
torch
Optional dependencies:
codecov
|
furo
|
ipython
|
nbmake
|
nbsphinx
|
pytest
|
pytest-cov
|
pytest-runner
|
sphinx
|
sphinx-copybutton
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