wehs7661 / ensemble_md

A python package for performing GROMACS simulation ensembles
MIT License
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A checklist for version 1.1.0 of ensemble_md #62

Open wehs7661 opened 2 months ago

wehs7661 commented 2 months ago

Version 1.1.0 of ensemble_md aims to provide complete functionalities and instructions for using the MT-REXEE method. By the release of version 1.1.0, the following action items should be addressed