v1.5.0

What's Changed

• Consolidate R Dockerfile by @mr-c in #21
• CWL scripts default path by @mr-c in #22
• Fix command lines to run the workflow by @simleo in #27
• python: find extra prov in correct path by @mr-c in #28
• cheminf prov: make it a workflow output as well by @mr-c in #29
• Added dot in README by @anne-susann in #32
• Add example crate from the biohackathon run by @simleo in #30
• fix: Update citation by @Kohulan in #34

New Contributors

• @mr-c made their first contribution in #21
• @simleo made their first contribution in #27
• @anne-susann made their first contribution in #32

Full Changelog: v1.0.1...v1.5.0

Metabolome Annotation Workflow (MAW) 1.0.1

• added multiple db options to SIRIUS
• spec_dereplication_file can fetch spectral databases from input directory or working directory

Metabolome Annotation Workflow (MAW)

Metabolome Annotation Workflow (MAW) initial Release

What's Changed

• Minor edits and typo fixes by @Kohulan in #1
• Typo fix and added logo by @Kohulan in #2
• Added .gitignore file for python and R by @Kohulan in #13
• Initial documentation work by @Kohulan in #14
• Documentation errors found and potential solution is there by @Kohulan in #15
• functions added with usage and main by @Kohulan in #16
• Workflow functions formatted by @Kohulan in #17
• Parallelization of database search by @lgadelha in #18

New Contributors

• @Kohulan made their first contribution in #1
• @lgadelha made their first contribution in #18

Full Changelog: https://github.com/zmahnoor14/MAW/commits/v1.0.0