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RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX
MIT License
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Galaxy wrapper for Gibbs sampler to estimate posterior probabilities #466

Open hechth opened 10 months ago

hechth commented 10 months ago

The Gibbs sampler has multiple wrappers for the different inputs so we need to investigate that a little bit.

Also the output dictionary should be flattened to contain all rows in a single dataframe and the feature id should be added as an additional column.

For the Gibbs samplers we need to reconstruct dictionary based input format (output of annotations) from the dataframe.

hechth commented 9 months ago

The Gibbs sampler wrapper should work in 3 different modes - only adducts, only bio, or both. Depending on the mode, a different will be called and different parameters will be required. For an examplke see the RAMCLustR wrapper.