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GitHub / MikeXydas / MDSimsEval
Analysis, Classification and Evaluation of a collection of MD simulations
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MikeXydas%2FMDSimsEval
Stars: 1
Forks: 0
Open Issues: 14
License: mit
Language: Python
Repo Size: 96.2 MB
Dependencies:
264
Created: over 4 years ago
Updated: over 3 years ago
Last pushed: over 1 year ago
Last synced: 9 days ago
Topics: analysis, bioinformatics, classification-model, molecular-dynamics
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Dependencies
pyproject.toml
pypi
- Sphinx ^3.2.1 develop
- jupyter ^1.0.0 develop
- MDAnalysis ^1.0.0
- imgkit ^1.0.2
- matplotlib ^3.3.2
- mdtraj ^1.9.4
- numpy ^1.19.2
- pandas ^1.0.3
- python ^3.6.9
- scikit-learn ^0.23.2
- scipy ^1.5.2
- seaborn ^0.11.0
- tqdm ^4.50.2
requirements.txt
pypi
- Babel ==2.8.0
- Cython ==0.29.14
- GitPython ==2.1.15
- GridDataFormats ==0.5.0
- Jinja2 ==2.10.3
- MDAnalysis ==0.20.1
- MDAnalysisData ==0.8.0
- MDAnalysisTests ==0.20.1
- MarkupSafe ==1.1.1
- Pillow ==7.1.1
- PyYAML ==5.3
- Pygments ==2.5.2
- QtPy ==1.9.0
- Send2Trash ==1.5.0
- Sphinx ==3.0.3
- alabaster ==0.7.12
- attrs ==19.3.0
- backcall ==0.1.0
- beautifulsoup4 ==4.8.2
- biopython ==1.76
- bleach ==3.1.4
- certifi ==2019.11.28
- chardet ==3.0.4
- click ==7.1.1
- colorama ==0.4.3
- colorlog ==4.1.0
- cycler ==0.10.0
- dataclasses ==0.7
- decorator ==4.4.1
- defusedxml ==0.6.0
- docutils ==0.16
- dython ==0.4.0
- eli5 ==0.10.1
- entrypoints ==0.3
- flake8 ==3.8.1
- flake8-polyfill ==1.0.2
- future ==0.18.2
- gitdb2 ==2.0.6
- graphviz ==0.14
- gsd ==1.10.0
- hypothesis ==5.3.1
- idna ==2.8
- imagesize ==1.2.0
- imgkit ==1.0.2
- importlib-metadata ==1.4.0
- ipykernel ==5.1.3
- ipython ==7.11.1
- ipython-genutils ==0.2.0
- ipywidgets ==7.5.1
- jedi ==0.15.2
- joblib ==0.14.1
- jsonschema ==3.2.0
- jupyter ==1.0.0
- jupyter-client ==5.3.4
- jupyter-console ==6.1.0
- jupyter-contrib-core ==0.3.3
- jupyter-contrib-nbextensions ==0.5.1
- jupyter-core ==4.6.1
- jupyter-highlight-selected-word ==0.2.0
- jupyter-latex-envs ==1.4.6
- jupyter-nbextensions-configurator ==0.4.1
- kiwisolver ==1.1.0
- lxml ==4.6.2
- mando ==0.6.4
- matplotlib ==3.1.2
- mccabe ==0.6.1
- mdtraj ==1.9.3
- mistune ==0.8.4
- mmtf-python ==1.1.2
- mock ==3.0.5
- more-itertools ==8.1.0
- msgpack ==0.6.2
- nbconvert ==5.6.1
- nbformat ==4.4.0
- networkx ==2.4
- nltk ==3.5
- nose ==1.3.7
- notebook ==6.0.3
- numpy ==1.18.1
- opencv-python ==4.2.0.32
- packaging ==20.1
- pandas ==1.0.3
- pandocfilters ==1.4.2
- parso ==0.5.2
- patsy ==0.5.1
- pexpect ==4.8.0
- pickleshare ==0.7.5
- pkg-resources ==0.0.0
- plotly ==4.7.1
- pluggy ==0.13.1
- progress ==1.4
- prometheus-client ==0.7.1
- prompt-toolkit ==3.0.2
- psutil ==5.6.7
- ptyprocess ==0.6.0
- py ==1.8.1
- pycodestyle ==2.6.0
- pyflakes ==2.2.0
- pyparsing ==2.4.6
- pyrsistent ==0.15.7
- pytest ==5.3.4
- python-dateutil ==2.8.1
- pytz ==2019.3
- pyzmq ==18.1.1
- qtconsole ==4.7.1
- radon ==4.0.0
- regex ==2020.4.4
- requests ==2.22.0
- retrying ==1.3.3
- scikit-learn ==0.22.1
- scipy ==1.4.1
- seaborn ==0.10.0
- six ==1.13.0
- smmap ==3.0.4
- smmap2 ==3.0.1
- snowballstemmer ==2.0.0
- sortedcontainers ==2.1.0
- soupsieve ==1.9.5
- sphinx-rtd-theme ==0.4.3
- sphinxcontrib-applehelp ==1.0.2
- sphinxcontrib-devhelp ==1.0.2
- sphinxcontrib-htmlhelp ==1.0.3
- sphinxcontrib-jsmath ==1.0.1
- sphinxcontrib-qthelp ==1.0.3
- sphinxcontrib-serializinghtml ==1.1.4
- statsmodels ==0.11.1
- tabulate ==0.8.7
- terminado ==0.8.3
- testpath ==0.4.4
- tornado ==6.0.3
- tqdm ==4.42.0
- traitlets ==4.3.3
- urllib3 ==1.25.7
- wcwidth ==0.1.8
- webencodings ==0.5.1
- widgetsnbextension ==3.5.1
- wily ==1.16.0
- wordcloud ==1.6.0
- xlrd ==1.2.0
- zipp ==2.0.0
setup.py
pypi
- MDAnalysis >=0.20.1
- imgkit >=1.0.2
- matplotlib >=3.1.2
- mdtraj >=1.9.3
- numpy >=1.18.1
- pandas >=1.0.3
- scikit-learn >=0.22.1
- scipy >=1.4.1
- seaborn >=0.10.0
- tqdm >=4.42.0