Metadata-Version: 2.1
Name: rs-simtools
Version: 0.0.1
Summary: RSSimTools
Home-page: https://github.com/RedesignScience/RSSimTools
Author: Gavin Bascom
Author-email: gavin@redesignscience.com
License: UNKNOWN
Description: # RSSimTools
        # OpenMM Wrappers for General and Enhanced MDSimulations
        
        This repo contains several simulation classes wrapped around openMM infrastructure that allow for rapid devlopment and usage of various MD Simulations.
        
        Currently Supported are the following simulations: Minimization, Standard MD (base class); Heating and Equil MD simulations (NVT and NPT respectively), solvent scaled MD, random accelerated MD, and metadynamics MD.
        
        Current usage and more extensive documentation is hosted here:  https://www.notion.so/redesignscience/RS-SimTools-Docs-9d376e7aef624e40be057a8dc680abab
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Description-Content-Type: text/markdown
