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test Attempt to adapt workflow/ for ro crate 0.2 Jul 22, 2019
tools Attempt to adapt workflow/ for ro crate 0.2 Jul 22, 2019
workflow Attempt to adapt workflow/ for ro crate 0.2 Jul 22, 2019
.gitignore Attempt to adapt workflow/ for ro crate 0.2 Jul 22, 2019
.travis.yml Attempt to adapt workflow/ for ro crate 0.2 Jul 22, 2019
Dockerfile Attempt to adapt workflow/ for ro crate 0.2 Jul 22, 2019
README.md Attempt to adapt workflow/ for ro crate 0.2 Jul 22, 2019
ro-crate-metadata.jsonld

README.md

RetroPath2-cwl -- RetroPath2.0 IBISBA Node

Build Status

RetroPath2.0 builds a reaction network from a set of source compounds to a set of sink compounds.

Quick start

TODO

Contributing

To build the docker image yourself, use

docker build -t ibisba/RetroPath2 .

How to cite RetroPath2?

Please cite:

Delépine B, Duigou T, Carbonell P, Faulon JL. RetroPath2.0: A retrosynthesis workflow for metabolic engineers. Metabolic Engineering, 45: 158-170, 2018. DOI: https://doi.org/10.1016/j.ymben.2017.12.002

Licence

TODO

The Docker image contains software dependencies under other open source licenses.

TODO

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