deeptime
Deeptime is a general purpose Python library offering various tools to estimate dynamical models
based on time-series data including conventional linear learning methods, such as Markov State
Models (MSMs), Hidden Markov Models (HMMs) and Koopman models, as well as kernel and
deep learning approaches such as VAMPnets and deep MSMs. The library is largely compatible
with scikit-learn, having a range of Estimator classes for these different models, but in
contrast to scikit-learn also provides Model classes, e.g., in the case of an MSM,
which provide a multitude of analysis methods to compute interesting thermodynamic, kinetic
and dynamical quantities, such as free energies, relaxation times and transition paths.
Releases:
Installation via conda
recommended, pip
compiles the library locally.
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conda install -c conda-forge deeptime | pip install deeptime |
Documentation: deeptime-ml.github.io.
Building the latest trunk version of the package:
Using pip with a local clone and pulling dependencies:
git clone https://github.com/deeptime-ml/deeptime.git
cd deeptime
pip install .
Or using pip directly on the remote:
pip install git+https://github.com/deeptime-ml/deeptime.git@main