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Dependencies
- filelock
- griddataformats >=0.4.0
- joblib >=0.12
- matplotlib >=1.5.1
- mda-xdrlib
- mmtf-python >=1.0.0
- numpy >=1.26.0
- packaging
- scipy >=1.5.0
- threadpoolctl
- tqdm >=4.43.0
24 optional dependencies
- biopython[analysis]
- chemfiles[extra-formats]
- dask[parallel]
- gsd[extra-formats]
- h5py[extra-formats]
- imdclient[extra-formats]
- mdahole2[analysis]
- mdanalysis-sphinx-theme[doc]
- netcdf4[extra-formats]
- networkx[analysis]
- parmed[extra-formats]
- pathsimanalysis[analysis]
- pybtex[doc]
- pybtex-docutils[doc]
- pyedr[extra-formats]
- pytng[extra-formats]
- rdkit[extra-formats]
- scikit-learn[analysis]
- seaborn[analysis]
- sphinx[doc]
- sphinx-sitemap[doc]
- sphinxcontrib-bibtex[doc]
- tidynamics[analysis]
- waterdynamics[analysis]
Used By
- prolif
- ai2-kit
- nomad-schema-plugin-simulation-workflow
- nomad-parser-plugins-atomistic
- mdahole2
- pathsimanalysis
- waterdynamics
- mdanalysistests
- jscatter
- mdsasa-bolt
- mdaencore
- volgrids
- mdacli
- codeentropy
- gatewizard
- stko
- megane
- mdaprolint
- mdanse
- maicos
- gemdat
- lipyphilic
- materials-data-analytics
- trill-proteins
- bentopy
- shapegmmtorch
- bfee2
- solvation-analysis
- arctic3d
- chilife
- mdance
- atompacker
- molecular-simulations
- radicalpy
- membrane-curvature
- potsim2
- mdatools
- mdkits
- condensimadapter
- pacs-q
- ml-peg
- waterentropy
- transport-analysis
- cmd-viewer
- biobb-cmip
- dynetan
- dmol-book
- qmzyme
- kimmdy
- waternetworkanalysis