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martimunicoy / peleffy

The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.

Home Page:https://martimunicoy.github.io/peleffy

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martimunicoy opened this issue · comments

commented

This package is no longer exclusively employing OpenFF force fields (as it can also employ OPLS2005). Thus, its name should be more general.

Some proposals:

  • pelep: PELE Parameterizer
  • pelepar: PELE PARameterizer
  • peleup: PELE Universal Parameterizer
  • param2pele: PARAMeters to PELE
  • peleffy: PELE Force Field Yielder
  • pelet: PELE Templatizer
commented

I prefer peleup, peleffy, and pelet. I think pelep can be confused with the PELE Platform. I also like the param2pele name version.