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Author:
Adekunle Aina, Derrick Kwan
License:
MIT
Summary:
FastMDXplorer: Fully Automated SysTem for Molecular Dynamics eXploration
Latest version:
0.3.0
Required dependencies:
matplotlib
|
mdtraj
|
numpy
|
pandas
|
python-pptx
|
pyyaml
|
scikit-learn
Optional dependencies:
myst-parser
|
openff-toolkit
|
openmm
|
openmm-plumed
|
openmmforcefields
|
pdbfixer
|
pytest
|
pytest-cov
|
python-pptx
|
ruff
|
sphinx
|
sphinx-rtd-theme
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