Metadata-Version: 2.4
Name: crimm-dock
Version: 2025.8a1
Summary: Docking Module for Chemistry with the ReInvented Macromolecular
Author-email: Truman Xu <ziqiaoxu@umich.edu>
Project-URL: Homepage, https://github.com/Truman-Xu/crimm-dock
Project-URL: Bug Tracker, https://github.com/Truman-Xu/crimm-dock/issues
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Classifier: Development Status :: 2 - Pre-Alpha
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: crimm
Requires-Dist: scikit-learn
Dynamic: license-file

# crimm-dock
Docking modules for crimm

This module is an extension to the crimm package. Currently it provides functions for FFT Docking of small molecule probes.
To build from source, use
```
pip install crimm-dock
```
This module uses FFTW3. You will need to have FFTW3F lib in your library path in order to compile the C-Extension
The easiest way of installing FFTW is `conda install fftw`
