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Author:
Adekunle Aina, Derrick Kwan
Summary:
Software for Automated Molecular Dynamics Exploration
Latest version:
2.6.0
Required dependencies:
markdown
|
matplotlib
|
mdtraj
|
numpy
|
pandas
|
pillow
|
python-pptx
|
pyyaml
|
scikit-learn
|
scipy
Optional dependencies:
fastmdxplora
|
mcp
|
mdanalysis
|
myst-parser
|
netcdf4
|
openmm
|
openmmforcefields
|
pdbfixer
|
playwright
|
prolif
|
propka
|
pytest
|
pytest-cov
|
pytest-timeout
|
python-pptx
|
rdkit
|
ruff
|
setuptools
|
sphinx
|
sphinx-rtd-theme
|
tomli
|
umap-learn
|
weasyprint
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