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

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AGPL-3.0 license
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DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.

Topics

genetic-algorithm computational-chemistry virtual-screening combinatorial molecular-design molecular-modeling de-novo-design

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Readme

License

AGPL-3.0 license
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Custom properties

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37 stars

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Releases 33

v4.4.0 Latest
May 20, 2025
+ 32 releases

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