e-In Infrastructure for th the Multi- Sc Scale Complex Genomics - - PowerPoint PPT Presentation

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e in infrastructure for th the multi sc scale complex
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e-In Infrastructure for th the Multi- Sc Scale Complex Genomics - - PowerPoint PPT Presentation

May 15, 2023 100 likes •295 views

e-In Infrastructure for th the Multi- Sc Scale Complex Genomics VRE Jose Josep Ll Ll. . Gelp Gelp BSC BSC - UB UB https://vre.multiscalegenomics.eu DI4R Brussels 30 Nov This project has received funding from the European Unions

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This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 676556.

e-In Infrastructure for th the Multi- Sc Scale Complex Genomics VRE

Jose Josep Ll Ll. . Gelp Gelpí BSC BSC - UB UB

https://vre.multiscalegenomics.eu DI4R Brussels 30 Nov

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Why MuG: The two Genomics worlds

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Structural Biology Biochemistry Biophysics,… Output  structures  ensembles  Chem. mechanisms Molecular Biology Cell Biology,… Output  Sequences  Images  Functions

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Why MuG: The dream

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The Problems

MuG VRE

Tools Visualization Data

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Interoperability Fast-evolving->immature Usability Lack of standards No FAIR data Formats & Types Disconnected Undigested Unfriendly

Methods developers HPC facilities Biologists

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Users need to forget about the infrastructure …

State-of-the-art Tools and workflows Friendly environment. Known interfaces. Only scientific decisions needed Integrated workspace. Data and tools in a single portal Hidden (and scalable) infrastructure Stable and Sustainable ecosystem

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Design Guidelines

Flexible and easy to deploy research platform Software scheduler(s) to manage infrastructure and tools Multi-scale execution (Cluster to HPC) Web & Programmatic access, easy user access and support Procedure to integrate analysis, simlation, and visualization tools Compatible with European e-infrastructures

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First release of MuG VRE 15th November

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User perspective: Authentication

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User perspective: the Workspace

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File system layout Rich set of Data types and Formats Intuitive Toolkits for Data mngt. Analysis Visualization

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Prot DNA Complexes Binding sites

User perspective: Tools

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CG NA Simulation Genome indexes ChipSeq Analysis HiC analysis Nucleosome positioning

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User perspective: Visualizing data

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MuG VRE Backend

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Web Access Users Web Services Galaxy interface Resource Management COMPSs Stand- alone apps. Programming Model Execution Service SGE

Apps

HPC Tools Repository User Workspace Data Access API User Workspace Data Access API User support Public Repos metadata

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Tool execution life cycle (metadata driven)

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Tool execution life cycle

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Execution scheduler Python wrappers to enclose tools

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Data management (aim)

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Tool’s execution

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Public Repos

Single virtual data space

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Linking to e-infrastructures

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EBI Repos MuG @ BSC/IRB Shared storage MuG Repos User interface

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The MuG’s team

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https://youtu.be/DRtf7b6M9WY Laia Codo (BSC) Genis Bayarri (IRB) Marco Pasi (UNot) Mark McDowall (EBI)

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Register now!!

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This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 676556.

@MuG_genomics irbinfo.mug@irbbarcelona.org www.multiscalegenomics.eu

Thank you!