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1. DENOPTIM DENOPTIM Public

   DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.

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2. AutoCompChem AutoCompChem Public

   Tools for automated computational chemistry

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3. GM3DFragmenter GM3DFragmenter Public archive

   Toolbox for producing and managing molecular fragments for DENOPTIM

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4. workshop-May2022 workshop-May2022 Public

   Data for the hands-on workshop run in May 2022

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5. tutorials tutorials Public

   Collection of tutorials with DENOPTIM and co.

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6. dnptools dnptools Public

   Collection of Python utilities for working with DENOPTIM.

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