Kartograf is an package for a setting up free energy calculation.

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  • License: MIT License
  • Author: Benjamin Ries
  • Requires: Python >=3.9
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Kartograf: The tools for mapping your FE calcuations

Kartograf offers at the moment a geometric hybrid topology atom mapper approach.

More will be here soon!

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Avatar for dwhswenson from gravatar.com dwhswenson Avatar for IAlibay from gravatar.com IAlibay Avatar for mmh from gravatar.com mmh Avatar for riesb from gravatar.com riesb

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  • License: MIT License
  • Author: Benjamin Ries
  • Requires: Python >=3.9
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1.0.1

1.0.0

0.5.2

0.5.1

0.0.6

0.0.3

This version

0.0.2

0.0.1

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