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Astronomy and Astrophysics workflows

Community contact: Giuliano Castelli (INAF) , Giuliano Taffoni (INAF) and Claudio Vuerli (INAF)

Applications ported as workflows in ER-flow

 

Contact

COMPCAT

Description

Lubos Neslusan (TA3)

Marian Jakubik (TA3)

FRANEC BASTI

Description

Santi Cassisi (INAF)

Adriano Pietrinferni (INAF)

LasMoG

Description Mel Krokos (Portsmouth)

MESSTREAM

Description

Lubos Neslusan (TA3)

Marian Jakubik (TA3)

PLANCK

Description

Claudio Vuerli (INAF)

Giuliano Castelli (INAF)

Giuliano Taffoni (INAF)

VisIVO

Description Alessandro Costa (INAF)

 

Computational Chemistry (MoSGrid) workflows

Community contact: Sonja Herres-Pawlis (TUD)

Applications ported as workflows in ER-flow

 

Contact

AutoDock Vina

Description

Sonja Herres-Pawlis (LMU)

Jens Krüger

CADDSuite – Docking with ligande

Description

Sonja Herres-Pawlis (LMU)

Jens Krüger

CADDSuite – Docking without ligande

Description

Sonja Herres-Pawlis (LMU)

Jens Krüger

GROMACS – Energy Minimisation

Description

Sonja Herres-Pawlis (LMU)

Jens Krüger

GROMACS – Equilibration

Description

Sonja Herres-Pawlis (LMU)

Jens Krüger

GROMACS – Single TPR

Description

Sonja Herres-Pawlis (LMU)

Jens Krüger

NWChem – Basic

Description

Sonja Herres-Pawlis (LMU)

Richard Grunzke (TUD)

NWChem – Freq

Description

Sonja Herres-Pawlis (LMU)

Richard Grunzke (TUD)

NWChem – Mulliken

Description

Sonja Herres-Pawlis (LMU)

Richard Grunzke (TUD)

NWChem – Optimisation plus frequency calculation

Description

Sonja Herres-Pawlis (LMU)

Richard Grunzke (TUD)

NWChem – Solvation

Description

Sonja Herres-Pawlis (LMU)

Richard Grunzke (TUD)

NWChem – Time-Dependent DFT

Description

Sonja Herres-Pawlis (LMU)

Richard Grunzke (TUD)

NWChem – Transition State Search

Description

Sonja Herres-Pawlis (LMU)

Richard Grunzke (TUD)

NWChem - TD UNI Description

Dr. Alexander Hoffmann (LMU)

Sonja Herres-Pawlis (LMU)

NWChem - Population UNI Description

Dr. Alexander Hoffmann (LMU)

Sonja Herres-Pawlis (LMU)

NWChem - SpecWSUNI Description

Dr. Alexander Hoffmann (LMU)

Sonja Herres-Pawlis (LMU)

 

Heliophysics workflows

Community contact: Gabriele Pierantoni (TCD) and Bob Bentley (UCL)

Applications ported as workflows in ER-flow

 

Contact

Solar Wind Description Dr. David Perez Suarez
FastCME Description Dr. Gabriele Pierantoni (TCD)
Event Data Description Dr. Gabriele Pierantoni (TCD)
Data For Flare Events Description Dr. Gabriele Pierantoni (TCD)
Events Overview Description Dr. Gabriele Pierantoni (TCD)
Solar Surface Map Description Dr. Gabriele Pierantoni (TCD)

 

Life Sciences workflows

Community contact: Silvia Olabarriaga (AMC)

Applications ported as workflows in ER-flow

 

Contact

Double Cross Validation

Descrition

Mahdi Jaghouri (AMC)

Freesurfer

Description

Mahdi Jaghouri (AMC)

Vladimir Korkhov (AMC)

Freesurfer Param Description

Mahdi Jaghouri (AMC)

Vladimir Korkhov (AMC)

Freesurfer Pial Description

Mahdi Jaghouri (AMC)

Vladimir Korkhov (AMC)

Autodock Vina

Description

Vladimir Korkhov (AMC)

Mark Santcroos (AMC)

SNP annotation with Annovar

Description

Barbera van Schaik (AMC)

SNP calling

Description

Barbera van Schaik (AMC)

Sequence alignment

Description

Mark Santcroos (AMC)

Barbera van Schaik (AMC)

DTI Population Registration

Description

Vladimir Korkhov (AMC)

DTI Preprocessing

Description

Vladimir Korkhov (AMC)

Mahdi Jaghouri (AMC)

FSL BedpostX

Description

Vladimir Korkhov (AMC)

Mahdi Jaghouri (AMC)

INDEL calling

Description

Barbera van Schaik (AMC)

Simulation of low coverage sequence experiments

Description

Barbera van Schaik (AMC)

Sequence assembly of small genomes

Description

Barbera van Schaik (AMC)
Trac-all Description Mahdi Jaghouri (AMC)
RNA-seq meta workflow Description Vladimir Korkhov (AMC)
Tophat Description Vladimir Korkhov (AMC)
Tuxedo Description Vladimir Korkhov (AMC)
CQRS Description Dagmar Krefting

Hydro-Meteorology workflows

Community contact: Antonio Parodi (CIMA RESEARCH FOUNDATION)

Applications ported as workflows in ER-flow

Contact

WRF-NMM

 

RainFARM

 

DRIFT

 

RIBS

 

        

   This project has received funding from the European Union's Seventh Framework Programme for research, technological development and demonstration under grant agreement no 312579.