Workflows
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Automatic Ligand parameterization tutorial using BioExcel Building Blocks (biobb)
This tutorial aims to illustrate the process of ligand parameterization for a small molecule, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Sulfasalazine protein (3-letter code SAS), used to treat rheumatoid arthritis, ulcerative colitis, and Crohn's disease.
OpenBabel and ACPype packages are used to **add hydrogens, energetically ...
Automatic Ligand parameterization tutorial using BioExcel Building Blocks (biobb)
This tutorial aims to illustrate the process of ligand parameterization for a small molecule, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Sulfasalazine protein (3-letter code SAS), used to treat rheumatoid arthritis, ulcerative colitis, and Crohn's disease.
OpenBabel and ACPype packages are used to **add hydrogens, energetically ...
Type: Jupyter
Creators: Genís Bayarri, Adam Hospital, Douglas Lowe
Submitters: Robin Long, Genís Bayarri
Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
Based on the official GROMACS tutorial.
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).
Copyright & Licensing
This software has been developed in the [MMB ...
Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
Based on the official GROMACS tutorial.
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).
Copyright & Licensing
This software has been developed in the [MMB ...
Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
Based on the official GROMACS tutorial.
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).
Copyright & Licensing
This software has been developed in the [MMB ...
Classification and visualization of SSU, LSU sequences.
Associated Tutorial
This workflows is part of the tutorial MGnify v5.0 Amplicon Pipeline, available in the GTN
Features
- Includes a Galaxy Workflow Report
- Uses ...
demux_doublet_sim
Repository for Nextflow pipeline used in demuxSNP demultipelxing paper
Overall workflow
- Simulate doublets
- Add per-sample suffix to barcodes in BAM
- Merge per-sample BAMs
- Generate lookup of barcodes to rename to reach a set % doublets
- Rename barcodes in BAM as per lookup
- Benchmark methods
- Experiments 1: Vary doublet rate
- Experiment 2: Vary SNP subsetting
Inputs
Most inputs are specified in nextflow.config: container__souporcell: path to souporcell apptainer ...
Type: Nextflow
Creators: Michael Lynch, Leverages scripts developed by Weber et al (2021) DOI: https://doi.org/10.1093/gigascience/giab062
Submitter: Michael Lynch
PaSTa is a nextflow-based end-to-end image analysis pipeline for decoding image-based spatial transcriptomics data. It performs imaging cycle registration, cell segmentation and transcripts peak decoding. It is currently supports analysis of three types of ST technology:
- in-situ sequencing-like encoding
- MERFISH-like encoding
- RNAScope-like labelling
Prerequisites:
- Nextflow. Installation guide: https://www.nextflow.io/docs/latest/getstarted.html
- Docker or Singularity. Installation guide: ...
YOLO based tail analysis workflow for image segmentation and detection. The workflow is based on https://git.embl.org/grp-cba/tail-analysis/-/blob/main/analysis_workflow.md
Associated Tutorial
This workflows is part of the tutorial Training Custom YOLO Models for Object Detection and Segmentation in Bioimages, available in the GTN
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