Workflows

EDPS 6571 Week 1 Introduction (1)

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Week 1 Introduction

Created: 2018-04-25

EDPS 6751 Week 2 Problem Definition (1)

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Week 2: Problem Definition

Created: 2018-04-25

EDPS 6751 Week 3 Data Exploration (1)

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Week 3: Data Exploration

Created: 2018-04-25

List_CorrData (1)

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This test workflow demonstrates the ability to read a file.

Created: 2018-03-07

Credits: Divya Karade

Search Europe PMC and get ChEBI annotations (3)

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This workflow first conducts a search and downloads the PMIDs for all publications in PubMed and PMC that match a particular query using the Europe PMC Articles API. In a second phase, the workflow fetches the ChEBI annotations for all these publications using the Europe PMC Annotations API.

Created: 2018-02-09 | Last updated: 2018-02-12

Credits: Magnus Palmblad

demo-02 (1)

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Created: 2017-12-01

Credits: Barry Mitchell

demo-01 (1)

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this is a demo on how to upload a keplar file to myexperiment.org

Created: 2017-11-27

Credits: Barry Mitchell

zetasizer2excel (2)

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Arrrgh! The exported data file format for the Malvern Zetasizer is insane!Row1, x1,x2,x3,x4,....,y1,y2,y3,y4,....Row2, x1,x2,x3,x4,....,y1,y2,y3,y4,....Row3, x1,x2,x3,x4,....,y1,y2,y3,y4,....This workflow imports the txt file, takes each row and reformats as table with 3 columns: Size, Intensity, Volume. Then exports the data for each row to a new tab in Excel. Or you can just use KNIME to plot and prepare reports (to do).The TableRow2Variable node allows you to name the tabs in Excel from a ...

Created: 2017-11-20 | Last updated: 2017-11-20

Credits: sauberns

Hello World in CWL (1)

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Puts a message into a file using echo

Created: 2017-11-03

Credits: Stian Soiland-Reyes

Predador Presa v1 (1)

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Envia dois textos e três parâmetros numéricos para um web service, e recebe um texto como saída. O web service implementa um modelo de predador-presa.

Created: 2017-10-30 | Last updated: 2017-10-30

Credits: Johnathan Melo Neto

Tratamento de erro para WSDL (1)

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Verifica se web service está ativo antes de propriamente executá-lo, como forma de tratamento de erro, enviando mensagem de alerta caso erro ocorra.

Created: 2017-10-30

Credits: Johnathan Melo Neto

Variant Annotation with VEP (Variant Effec... (1)

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Here, from a list of g.vcf files, we execute GenotypeGVCFs command line GenotypeGVCFs perform joint genotyping on gVCF files produced by HaplotypeCaller Variant Effect Predictor http://www.ensembl.org/info/docs/tools/vep/script/index.html The VEP determines the effect of your variants (SNPs, insertions, deletions, CNVs or structural variants) on genes, transcripts, and protein sequence, as well as regulatory regions.

Created: 2017-10-19

Credits: alabarga

RetroPath2.0-Mods-isomer-transformation-queue (2)

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The workflow allows one to enumerate isomers of chemical structure(s) using the isomer transformation algorithm. It is a modified version of "RetroPath2.0-Mods-isomer-transformation". It illustrates how to introduce a FIFO data structure for the source set and use it for iteratively firing rules on small chunks of structures. See [1] for details. How to useSee instructions embedded in the workflow.Usage specificationsThe workflow is compatible starting from version 3.4.1 of Kni...

Created: 2017-10-12 | Last updated: 2017-12-19

Credits: Thomas Duigou BioRetroSynth

Attributions: RetroPath2.0 - a retrosynthesis workflow with tutorial and example data RetroPath2.0-Mods-isomer-transformation

WSDL Calculator (1)

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Utiliza uma calculadora com métodos disponíveis via WSDL para somar dois números.

Created: 2017-10-10

Credits: Johnathan Melo Neto

8_nested_workflows (1)

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8_nested_workflows

Created: 2017-09-11

Credits: Kasikrit Damkliang

H1-2-H4-SLEEPDEMO (1)

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H1-2-H4-SLEEPDEMO

Created: 2017-09-11

Credits: Kasikrit Damkliang

QSAR-model-aminoglycosides (2)

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The workflow build a QSAR model with LOO cross-validation for antibacterial activities of aminoglycosides structures using RDKit fingerprints and random forest. See [1] for details. Antibacterial activities were compiled from Setny et al, JCIM, 2009. How to useSee instructions embedded in the workflow.Usage specificationsThe workflow is compatible starting from version 3.3.2 of Knime Analytics Platform.Licence: CC BY-NC-SAThis work is licensed under the Creative Commons Attribution-NonCo...

Created: 2017-06-30 | Last updated: 2017-12-19

Credits: Thomas Duigou BioRetroSynth

RetroPath2.0-Mods-iQSAR (2)

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The workflow allows one to search chemical structures in the chemical space optimizing biological activites. See [1] for details. How to useSee instructions embedded in the workflow.Usage specificationsThe workflow is compatible starting from version 3.3.2 of Knime Analytics Platform.Licence: CC BY-NC-SAThis work is licensed under the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. To view a copy of this license, visit http://creativecommons.org/licenses/...

Created: 2017-06-30 | Last updated: 2017-12-19

Credits: Thomas Duigou BioRetroSynth

Attributions: RetroPath2.0 - a retrosynthesis workflow with tutorial and example data

QSAR-model-Tg-prediction (2)

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The workflow (i) build a QSAR model for Tg prediction with LOO cross-validation and (ii) predict the Tg for enumerated isomers. See [1] for details. Tg values were compiled from Brown et al, JCIM, 2006. How to useSee instructions embedded in the workflow.Usage specificationsThe workflow is compatible starting from version 3.3.2 of Knime Analytics Platform.Licence: CC BY-NC-SAThis work is licensed under the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. T...

Created: 2017-06-30 | Last updated: 2017-12-19

Credits: Thomas Duigou BioRetroSynth

RetroPath2.0-Mods-isomer-transformation (2)

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The workflow allows one to enumerate isomers of chemical structure(s) using the isomer transformation algorithm. See [1] for details. How to useSee instructions embedded in the workflow.Usage specificationsThe workflow is compatible starting from version 3.3.2 of Knime Analytics Platform.Licence: CC BY-NC-SAThis work is licensed under the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. To view a copy of this license, visit http://creativecommons.org/licen...

Created: 2017-06-30 | Last updated: 2017-12-19

Credits: Thomas Duigou BioRetroSynth

Attributions: RetroPath2.0 - a retrosynthesis workflow with tutorial and example data

RetroPath2.0-Mods-isomer-augmentation (2)

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The workflow allows one to enumerate isomers using the isomer augmentation algorithm. See [1] for details. How to useSee instructions embedded in the workflow.Usage specificationsThe workflow is compatible starting from version 3.3.2 of Knime Analytics Platform.Licence: CC BY-NC-SAThis work is licensed under the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-sa/4.0/.Koch M, D...

Created: 2017-06-30 | Last updated: 2017-12-19

Credits: Thomas Duigou BioRetroSynth

Attributions: RetroPath2.0 - a retrosynthesis workflow with tutorial and example data

Scaffolds_trends_workflow_2 (1)

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Second part of the workflow for paper "The rise and fall of a scaffold: A trend analysis of scaffolds in the medicinal chemistry literature" by B. Zdrazil and R. GuhaIncludes grouping and filtering steps to retrieve the summary data needed for performing the scaffold trend, bioactivity, and liability analyses.

Created: 2017-06-22

Credits: Barbara Zdrazil

Scaffolds_trends_workflow_1 (1)

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First part of the workflow for paper "The rise and fall of a scaffold: A trend analysis of scaffolds in the medicinal chemistry literature" by B. Zdrazil and R. GuhaIncludes initial filtering steps, extraction of Murcko frameworks, inclusion of journal Impact Factors, and calculation of Z-Scores. The example of oxetane substructure search is also included.

Created: 2017-06-22 | Last updated: 2017-06-22

Credits: Barbara Zdrazil

Color auto balancing (1)

Color auto balancing of RGB image

Created: 2017-05-02

Credits: Christian S.

searchPublications_and_MapAffil (1)

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This is a workflow for spatiotemporal analysis of literature indexed in PubMed. The workflow takes an arbitrary Europe PMC search query, calls the Europe PMC Web service searchPublications and extracts the publication year and PubMed ID from the results. The first author affiliation is then geoparsed by the MapAffil Web server to get latitude and longitudes. The coordinates are then concatenated together with the publication year, to produce a single list of publication years, latitudes and ...

Created: 2017-04-19

Credits: Magnus Palmblad

profilePublications_over_time (1)

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This workflow takes a list of arbitrary Europe PMC search queries and generates the corresponding profiles of the number of matching publications per publication year.

Created: 2017-04-19

Credits: Magnus Palmblad

Quality Recognition Model (QRM) (1)

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Quality Recognition Model (QRM) is a SVM-based Machine Learning supervised classification model that assigns label to the evidentiary documents on the basis of rigorousness of the contents. It assigns the label Rigor if the document is of quality otherwise assigns the Non-Rigor. It uses two type of features: data and metadata. Data features include title and abstract while the metadata features include MeSH terms and publication type.

Created: 2017-03-11

A Montage workflow in DATAVIEW. (1)

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A sample workflow that implements the Montage workflow in DATAVIEW.

Created: 2017-02-22 | Last updated: 2017-02-22

Credits: Shiyong Lu

recommenderSystem (1)

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Complementary workflow for the modelBuild. It can read the trained model parameters in order to classify samples in another dataset.

Created: 2017-01-20 | Last updated: 2017-01-20

modelBuild (1)

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Using this workflow one can train a softmax regression model (a machine learning algorithm) and the learnt parameters are exported to files.

Created: 2017-01-20 | Last updated: 2017-01-20

dataExploration (1)

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This workflow allows the user to explore and process a dataset file.

Created: 2017-01-20 | Last updated: 2017-01-20

repoRead (1)

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Workflow created to perform a search over the Harvard Dataverse. It can also download datasets linked files.

Created: 2017-01-20 | Last updated: 2017-01-20

SNPs@PSU (1)

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Example file test workflows.

Created: 2016-12-03 | Last updated: 2016-12-03

Credits: Sittisak Krotasuwan

phage display techniques (1)

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Created: 2016-11-22

Credits: Candy Swift

The automatic integrated workflow for Phyl... (2)

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update server address

Created: 2016-11-08 | Last updated: 2016-11-24

Credits: Kasikrit Damkliang

Interactive Service (4)

Interactive service is developed to provide an interface for human users to intervene the execution process of scientific workflow. This allows that certain steps in workflow can be operated by human users rather than an end-to-end automatic process. This is helpful for activities in the workflow that currently cannot be executed by automatic process, and for the inspection activities.The workflow here utilized a set of REST web services, HTML pages, authentication services, client ...

Created: 2016-10-26 | Last updated: 2016-10-26

Credits: Kewei Duan

Metavisitor: Spades test in Use Case 2-2 (1)

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Metavisitor, a suite of Galaxy tools for simple and rapid detection and discovery of viruses in deep sequence dataReadthedocMississippi Galaxy server 

Created: 2016-10-10 | Last updated: 2016-10-10

Metavisitor: Trinity test in Use Case 2-2 (1)

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Metavisitor, a suite of Galaxy tools for simple and rapid detection and discovery of viruses in deep sequence dataReadthedocMississippi Galaxy server 

Created: 2016-10-10 | Last updated: 2016-10-10

Metavisitor: Workflow for small RNA profil... (1)

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Metavisitor, a suite of Galaxy tools for simple and rapid detection and discovery of viruses in deep sequence dataReadthedocMississippi Galaxy server

Created: 2016-10-10 | Last updated: 2016-10-10

RapidMiner: Use a Macro at Detect Outliers... (1)

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a reply to @paavopdf 's question on twitter "Anyone having an idea how I can use a macro at "Detect Outliers" for the no. outliers in @RapidMiner? #rapidminer #DataScience"

Created: 2016-10-03

VCaP RNA-Seq Fusion gene detection with ST... (1)

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The end-to-end workflow starts by obtaining paired-end RNA-Seq data of the VCaP cell line via EGA. Galaxy determines the file type automatically with its built-in format detection system. The reads will be clipped before an alignment with STAR and STAR produces several output files that can be used for different analysis. The last tool is STAR-Fusion which was able to confirm the TMPRSS2-ERG fusion gene. 

Created: 2016-08-31 | Last updated: 2016-08-31

Credits: Y. Hoogstrate

vir-representative (1)

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Retrieve from NCBI and reduce redundancy in the viral database.

Created: 2016-08-09 | Last updated: 2016-08-09

Credits: Juliana Pegoraro

Test (1)

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Test

Created: 2016-08-02

Credits: Sue Tairaku

CARACTERÍSTICAS GEOQUÍMICAS DE LOS SEDIMEN... (1)

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Esta investigación tuvo como objetivo, evaluar algunos parámetros geoquímicos de los sedimentos superficiales de la laguna costera La Restinga, ubicada en la Isla de Margarita, estado Nueva Esparta, Venezuela. Utilizando metodología clásica para estudios geoquímicos, se analizó la composición granulométrica y textura del sedimento, porcentaje de carbono orgánico y materia orgánica total, así como, carbonato de...

Created: 2016-08-01

Credits: William Senior

ASPECTOS GEOQUÍMICOS Y AMBIENTALES DE LOS ... (1)

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Created: 2016-08-01 | Last updated: 2016-08-01

Credits: William Senior

TRPV1 Bioactivity from ChEMBLdb13 and ChEM... (1)

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This workflow allows to extract bioactivity data stored in ChEMBLdb for human TRPV1. Ensure you have installed Chembl and RDKit extensions to run the workflow.

Created: 2016-07-27 | Last updated: 2016-07-27

Credits: Daria Goldmann

KNIME workflow without hERG labels include... (1)

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KNIME workflow used to retrieve and process data from Open PHACTS for three targets of interest (hSERT, hDAT, hERG). Further, Murcko scaffolds are computed and selectivity trends towards hSERT and hDAT can be studied. Cutt off's for separating actives/inactives are tailored to the specific target and endpoint.Requirements:- Knime v2.11- Open PHACTS Knime nodes version 1.1.0: https://github.com/openphacts/OPS-Knime- KNIME additional community nodes: 'Trusted Community Contributions (2....

Created: 2016-07-20 | Last updated: 2016-07-20

Credits: Barbara Zdrazil Open PHACTS

KNIME workflow with hERG labels included f... (1)

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KNIME workflow used to retrieve and process data from Open PHACTS for three targets of interest (hSERT, hDAT, hERG). Further, Murcko scaffolds are computed and selectivity trends towards hSERT and hDAT can be studied. Compounds/scaffold series are flagged by their ability to also inhibit hERG.Requirements:- Knime v2.11- Open PHACTS Knime nodes version 1.1.0: https://github.com/openphacts/OPS-Knime- KNIME additional community nodes: 'Trusted Community Contributions (2.11)': EMBL-EBI No...

Created: 2016-07-20 | Last updated: 2016-07-20

Credits: Open PHACTS

An example BRAIN api call (1)

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An example brain API call.Note: This workflow require RServe library. Please refer to this link for the instructions to install RServer    

Created: 2016-07-11 | Last updated: 2016-07-11

Credits: Rajireturn

KEGG:Get PW for met (1)

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The purpose of the workflow is to retrieve all the pathways that the input metabolite(s) participates in.

Created: 2016-06-21

Credits: Kristina Hettne Harish Dharuri

Attributions: KEGG:Pathway Scheme