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Author:
None
License:
MIT
Summary:
BANKAI: Bond-vector ANalysis of Kinetic Amino acid Initiator - GPU-accelerated sub-picosecond causal cascade detection in GROMACS trajectories
Latest version:
1.2.2
Required dependencies:
gputil
|
h5py
|
joblib
|
matplotlib
|
networkx
|
numba
|
numpy
|
pandas
|
plotly
|
psutil
|
scikit-learn
|
scipy
|
seaborn
|
xarray
Optional dependencies:
bankai
|
black
|
cupy-cuda11x
|
cupy-cuda12x
|
ipywidgets
|
jupyterlab
|
mypy
|
notebook
|
nvidia-cuda-nvjitlink-cu12
|
pytest
|
pytest-cov
|
ruff
|
sphinx
|
sphinx-rtd-theme
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