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wehs7661 / ensemble_md

A python package for performing GROMACS simulation ensembles
MIT License
13 stars 4 forks source link

Conda release of ensemble_md #63

Open wehs7661 opened 2 months ago

wehs7661 commented 2 months ago

We would like to create and publish a Conda package for ensemble_md to simplify installation and dependency management. Anyone interested in helping with building the Conda recipe and publishing it to Anaconda or Conda-Forge is welcome to contribute!