Metadata-Version: 2.4
Name: MDTerp
Version: 1.0.0
Summary: A python project for interpreting molecular dynamics trajectory metastable state classifications from machine-learning models
Author-email: shams mehdi <shamsmehdi222@gmail.com>
License: MIT License
Project-URL: Homepage, https://github.com/shams-mehdi/MDTerp
Keywords: MDTerp
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: matplotlib
Provides-Extra: all
Requires-Dist: MDTerp[extra]; extra == "all"
Provides-Extra: extra
Requires-Dist: pandas; extra == "extra"
Dynamic: license-file

# MDTerp


[![image](https://img.shields.io/pypi/v/MDTerp.svg)](https://pypi.python.org/pypi/MDTerp)
[![image](https://img.shields.io/conda/vn/conda-forge/MDTerp.svg)](https://anaconda.org/conda-forge/MDTerp)


**A python project for interpreting molecular dynamics trajectory metastable state classifications from machine-learning models**


-   Free software: MIT License
-   Documentation: https://shams-mehdi.github.io/MDTerp
    

## Features

-   Scans your blackbox model trained on MD data for feature importance.
