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Author:
Roy González Alemán
License:
MIT
Summary:
Accelerated Detection of Interaction Fingerprints on Large-Scale Molecular Ensembles
Latest version:
1.0.4
Required dependencies:
bitarray
|
fastapi
|
importlib-metadata
|
mdanalysis
|
mdtraj
|
networkx
|
numba
|
numba_kdtree
|
numpy
|
numpy_indexed
|
openpyxl
|
pandas
|
plotly
|
plotly_resampler
|
pyvis
|
rdkit
|
rgpack
|
screeninfo
|
shiny
|
uvicorn
Optional dependencies:
pytest
|
pytest-cov
|
setuptools
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