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Update user guide mention of mordred
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Scienfitz committed Mar 5, 2024
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Expand Up @@ -128,7 +128,8 @@ SubstanceParameter(
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The ``encoding`` option defines what kind of descriptors are calculated:
* ``MORDRED``: 2D descriptors from the [Mordred package](https://mordred-descriptor.github.io/documentation/master/)
* ``MORDRED``: 2D descriptors from the [Mordred package](https://mordred-descriptor.github.io/documentation/master/).
Since the original package is now unmaintained, baybe requires the community replacement [mordredcommunity](https://github.com/JacksonBurns/mordred-community)
* ``RDKIT``: 2D descriptors from the [RDKit package](https://www.rdkit.org/)
* ``MORGAN_FP``: Morgan fingerprints calculated with RDKit (1024 bits, radius 4)

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