apps.yaml

---
# diffusion-electrolyte-mixture:
#     metadata:
#         title: Diffusion Electrolyte Mixture
#         description: |
#             This workflow uses the SimStack framework features to perform Molecular Dynamics simulation to calculate the diffusion coefficient of the components in binary mixture of electrolytes.
#         authors: Saientan Bag
#         external_url: https://github.com/saientan/Diffusion_Electrolyte_Mixture
#         documentation_url: https://github.com/saientan/Diffusion_Electrolyte_Mixture/blob/main/README.md
#         logo: https://raw.githubusercontent.com/saientan/Diffusion_Electrolyte_Mixture/main/Diffusion.png
#         state: development
#         version: '1.0'
#     categories:
#         - classical
#         - technology-simstack
MADAP:
    categories:
        - data-analysis
        - data-visualization
        - utilities
    git_url: https://github.com/fuzhanrahmanian/MADAP.git
    metadata:
        authors: Fuzhan Rahmanian
        affiliations: Karlsruhe Institute of Technology
        description: |
            Modular and Autonomous Data Analysis Platform (MADAP) is a well-documented python package which can be used for electrochmeical data analysis for three different classes: Impedance, Arrhenius and Voltammetry
        documentation_url: https://fuzhanrahmanian.github.io/MADAP/
        state: stable
        title: MADAP
        version: 0.11.0
        logo: https://raw.githubusercontent.com/fuzhanrahmanian/MADAP/master/logo.png
        video_installation_url: https://drive.google.com/file/d/1CriAPJKTiZwyZ-5NUYlHMktSm3bsog1g/preview
        video_demonstration_url: https://drive.google.com/file/d/1EJWva4NCJds3eLG2k5SQ5tZFhZxnuzpL/preview
aiidalab-qe:
    categories:
        - technology-aiida
        - technology-aiidalab
        - quantum
    git_url: https://github.com/aiidalab/aiidalab-qe.git
    metadata:
        authors: X. Wang, J. Yu, A. V. Yakutovich, M. Bercx, D. Du, D. Hollas, A. Ortega-Guerrero , M. Bonacci, E. Bainglass, N. Marzari, C. A. Pignedoli,
            G. Pizzi
        affiliations: Paul Scherrer Institute, Ecole Polytechnique Fédérale de Lausanne, Swiss Federal Laboratories for Materials Science and Technology
        description: |
            The Quantum ESPRESSO (QE) app is a user-friendly, web-based interface within AiiDAlab. It empowers users to conduct and streamline first-principles calculations by leveraging AiiDA’s powerful workflows implemented in the AiiDA Quantum ESPRESSO plugins. With this app researchers can calculate material properties (e.g., bands structure) on the web browser directly without writing any code.
        logo: https://raw.githubusercontent.com/aiidalab/aiidalab-qe/main/docs/source/_static/images/aiidalab_qe_logo.png
        state: stable
        title: Quantum ESPRESSO AiiDAlab app
        external_url: https://github.com/aiidalab/aiidalab-qe
        documentation_url: https://aiidalab-qe.readthedocs.io/
        version: 24.04.0
        video_installation_url: https://drive.google.com/file/d/1TjzFB9SEkFn4E_TaJoBB3FMVJhhiy8BR/preview
        video_demonstration_url: https://drive.google.com/file/d/1-Cxx1agmyHtkfmk-Rb5-lQEGXh9cCDG8/preview
aiidalab-qe-xas:
    categories:
        - technology-aiida
        - technology-aiidalab
        - quantum
    git_url: https://github.com/aiidalab/aiidalab-qe.git
    metadata:
        authors: P. N. O. Gillespie, X. Wang, M. H. A. Bertràn, N. Marzari, E. Molinari, G. Pizzi, D. Prezzi
        affiliations: CNR-NANO S3, Paul Scherrer Institute, Università di Modena e Reggio Emilia, Ecole Polytechnique Fédérale de Lausanne, Swiss Federal
            Laboratories for Materials Science and Technology.
        description: |
            An extension to the AiiDALab-QE app for DFT calculations with Quantum
            ESPRESSO for computing X-ray absorption near-edge spectra (XANES).
        logo: https://raw.githubusercontent.com/aiidalab/aiidalab-qe/main/docs/source/_static/images/aiidalab_qe_logo.png
        state: stable
        title: AiiDAlab-QE XAS App
        external_url: https://github.com/aiidalab/aiidalab-qe
        documentation_url: https://aiidalab-qe.readthedocs.io/howto/xas.html
        version: 24.04.0
        video_installation_url: https://drive.google.com/file/d/1TjzFB9SEkFn4E_TaJoBB3FMVJhhiy8BR/preview
        video_demonstration_url: https://drive.google.com/file/d/1aoMfAabynAbkXkoktFBJrsKKxTtrFuHs/preview
aiidalab-qe-xps:
    categories:
        - technology-aiida
        - technology-aiidalab
        - quantum
    git_url: https://github.com/aiidalab/aiidalab-qe.git
    metadata:
        authors: X. Wang, M. H. A. Bertràn, P. N. O. Gillespie, N. Marzari, E. Molinari, D. Prezzi, G. Pizzi
        affiliations: Paul Scherrer Institute, CNR-NANO S3, Università di Modena e Reggio Emilia, Ecole Polytechnique Fédérale de Lausanne
        description: |
            An extension to the AiiDALab-QE app for DFT calculations with Quantum
            ESPRESSO for computing X-ray photoelectron spectroscopy (XPS).
        logo: https://raw.githubusercontent.com/aiidalab/aiidalab-qe/main/docs/source/_static/images/aiidalab_qe_logo.png
        state: stable
        title: AiiDAlab-QE XPS App
        external_url: https://github.com/aiidalab/aiidalab-qe
        documentation_url: https://aiidalab-qe.readthedocs.io/howto/xps.html
        version: 24.04.0
        video_installation_url: https://drive.google.com/file/d/1TjzFB9SEkFn4E_TaJoBB3FMVJhhiy8BR/preview
        video_demonstration_url: https://drive.google.com/file/d/1IE0pNWgkBazP3KxN_wDvbvKtT4vVxn9P/preview
optimade-web:
    categories:
        - technology-materials-cloud
        - utilities
    git_url: https://github.com/CasperWA/voila-optimade-client
    metadata:
        authors: Casper Welzel Andersen
        description: |
            Graphical client hosted on Materials Cloud to search databases that
            implement the OPTIMADE API (https://www.optimade.org/).
        external_url: https://www.materialscloud.org/work/tools/optimadeclient
        logo: https://raw.githubusercontent.com/aiidalab/aiidalab-optimade/master/img/optimade-no-text-transparent-bg.png
        state: development
        video_demonstration_url: https://drive.google.com/file/d/1M4udtkXebmKRZNv9-7Etk3Z2fc1TGe52/preview
        title: OPTIMADE Web Client
dft-vasp:
    git_url: https://github.com/KIT-Workflows/DFT-VASP
    metadata:
        title: DFT-VASP
        description: |
            The DFT-VASP WaNo implements a wide range of methods available within the VASP code.
        authors: Celso R. C. Rêgo
        affiliations: Karlsruhe Institute of Technology
        external_url: https://www.simstack.de
        documentation_url: https://github.com/KIT-Workflows/DFT-VASP/blob/main/README.md
        logo: https://raw.githubusercontent.com/KIT-Workflows/DFT-VASP/main/DFT-VASP.png
        state: development
        version: '1.0'
        video_installation_url: https://drive.google.com/file/d/1iLOlZ683WT2zz5So7Es_QMh8p9v-VmTR/preview
        video_demonstration_url: https://drive.google.com/file/d/1P3RrTvAEYxWYEpbIy9SdGV4P2xSJ5Mdm/preview
    categories:
        - quantum
        - technology-simstack
# format-converter:
#     metadata:
#         title: Format-Converter
#         description: |
#             This app uses ASE technology to convert a geometry file from x to y format.
#         authors: Celso R. C. Rêgo
#         external_url: https://www.simstack.de
#         documentation_url: https://github.com/KIT-Workflows/Format-Converter/blob/master/README.md
#         logo: https://raw.githubusercontent.com/KIT-Workflows/Format-Converter/master/Files-Format.png
#         state: development
#         version: '1.0'
#     categories:
#         - technology-ase
#         - technology-simstack
dft-surface:
    git_url: https://github.com/KIT-Workflows/DFT-Surface
    metadata:
        title: DFT-Surface
        description: |
            This workflow uses the SimStack framework features to perform as an option a single shot DFT calculation of molecules absorbing on a surface.
        authors: Celso R. C. Rêgo
        affiliations: Karlsruhe Institute of Technology
        external_url: https://www.simstack.de
        documentation_url: https://github.com/KIT-Workflows/DFT-Surface/blob/main/README.md
        logo: https://raw.githubusercontent.com/KIT-Workflows/DFT-Surface/main/dft_surface_logo.png
        state: development
        version: '1.0'
    categories:
        - quantum
        - technology-simstack
density-neb:
    git_url: https://github.com/BIG-MAP/densityNEB
    metadata:
        title: densityNEB
        description: |
            Code for calculating the path of least resistance between two points in a scalar field using nudged elastic band (NEB).
        authors: Peter Bjørn Jørgensen
        affiliations: Technical University of Denmark
        external_url: https://github.com/BIG-MAP/densityNEB
        documentation_url: https://github.com/BIG-MAP/densityNEB/blob/main/README.md
        logo: https://github.com/BIG-MAP/densityNEB/raw/main/logo/logo.png
        state: development
        video_installation_url: https://drive.google.com/file/d/10VOwkYeDu8pAB8RNq9m3ocodugEoCODb/preview
        video_demonstration_url: https://drive.google.com/file/d/1XRqwHpiy3gTCF7z0FQZrdgukAGfZr7Qd/preview
    categories:
        - utilities
qm9-schnet-uncertainty:
    metadata:
        title: QM9 SchNet Uncertainty
        description: |
            A BioLib app for predicting atomization energies of QM9-like molecules with calibrated uncertainty using an ensemble of graph neural network models. For details about the method, please see our paper: https://doi.org/10.1088/2632-2153/ac3eb3.
        authors: Jonas Busk
        affiliations: Technical University of Denmark
        external_url: https://biolib.com/jbusk/qm9-schnet-uncertainty/
        documentation_url: https://github.com/BIG-MAP/qm9-schnet-uncertainty-app/blob/main/README.md
        logo: https://raw.githubusercontent.com/jonasbusk/big-map-registry/logo/images/icon.png
        state: development
        video_demonstration_url: https://drive.google.com/file/d/1BMh79vZRudaWYABOTeNbqS9zJsP-jvqy/preview
    categories:
        - technology-ase
    git_url: https://github.com/BIG-MAP/qm9-schnet-uncertainty-app/
HELAO:
    git_url: https://github.com/helgestein/helao-pub
    metadata:
        title: HELAO
        description: |
            Small fastAPI based framework to deploy active learning and laboratory automation to a distributed fleet of research instruments. Contains many drivers and high level actions and datamanagement for a wide range of instruments.
        authors: Fuzhan Rahmanian, Jackson Flowers, Dan Guevarra, Matthias Richter, Maximilian Fichtner, Phillip Donnely, John M Gregoire, Helge S Stein
        affiliations: Karlsruhe Institute of Technology
        external_url: https://github.com/helgestein/helao-pub
        documentation_url: https://github.com/helgestein/helao-pub/blob/master/helao%20guide.pdf
        logo: https://raw.githubusercontent.com/helgestein/helao-pub/master/helaologo.svg
        state: development
        version: '2.1'
        video_installation_url: https://drive.google.com/file/d/1hRBaboKbj6dN5cabzV1QQpwVNX3R4tUe/preview
        video_demonstration_url: https://drive.google.com/file/d/1CtPum85RE2DzbssHyhil9A_yy3CmsOm-/preview
    categories:
        - technology-lab
        - technology-active-learning
prisma:
    git_url: https://github.com/BIG-MAP/PRISMA
    metadata:
        title: PRISMA
        description: |
            An app for high-throughput analysis of spectra. More details in the app homepage and peer-reviewed article.
        authors: Eibar Flores
        affiliations: Technical University of Denmark
        external_url: https://github.com/BIG-MAP/PRISMA
        logo: https://raw.githubusercontent.com/BIG-MAP/PRISMA/main/docs/figures/logo.png
        state: development
    categories:
        - data-analysis
        - utilities
clease-gui:
    git_url: https://gitlab.com/computationalmaterials/clease-gui
    metadata:
        title: CLEASE GUI
        description: |
            A notebook-based graphical user interface for the Cluster Expansion code CLEASE.
            The app is only a GUI, and requires a working version of the CLEASE code.
            For more information on CLEASE, please refer to the CLEASE documentation (https://clease.readthedocs.io/).
        authors: Alexander S. Tygesen, Jin Hyun Chang
        affiliations: Technical University of Denmark
        external_url: https://gitlab.com/computationalmaterials/clease-gui
        documentation_url: https://clease-gui.readthedocs.io
        logo: https://gitlab.com/computationalmaterials/clease-gui/-/raw/master/clease_gui/assets/clease_logo.png
        state: development
        video_installation_url: https://drive.google.com/file/d/1OSRTR3761hs1TGyk5_oMPfNyErnc6whn/preview
        video_demonstration_url: https://drive.google.com/file/d/1AITCUjLnbsT2W6WIBgCqFCMuLUXALSNy/preview
    categories:
        - data-analysis
        - utilities
        - technology-ase
# rs-at-md:
#     metadata:
#         title: rs@md
#         description: |
#             Reactive Step Molecular Dynamics. rs@md is a wrapper program written in C++ to wrap around a classical molecular dynamics engine to introduce reactive steps.
#         authors: Myra Biedermann, Youssef Mabrouk
#         external_url: https://github.com/YoussefMabrouk/rsmd
#         state: development
#     categories:
#         - classical
# battery-electrodes:
#     metadata:
#         title: Battery-Electrodes
#         description: |
#             This workflow uses the SimStack framework features to simulate DFT calculations based on the VASP (QE) code to evaluate the mechanical and thermodynamic stability of the potential cathode material.
#         authors: Celso R. C. Rêgo, Wolfgang Wenzel
#         external_url: https://simstack.readthedocs.io/
#         documentation_url: https://github.com/KIT-Workflows/Battery-Electrodes/blob/main/README.md
#         logo: https://raw.githubusercontent.com/KIT-Workflows/Battery-Electrodes/main/Funnel_Battery.png
#         state: development
#         version: '1.0'
#     categories:
#         - quantum
#         - technology-simstack
#         - technology-ase
FullProfAPP:
    metadata:
        title: FullProfAPP
        description: |
            An PyQt5 based graphical user interface for the automated analysis of powder X-ray diffraction data based on the refinement engine FullProf.
        authors: Oier Arcelus, Juan Rodriguez-Carvajal, Nebil Ayape Katcho
        external_url: https://www.ill.eu/sites/fullprof/php/downloads.html
        documentation_url: https://fullprofapp.readthedocs.io/en/stable/
        logo: https://gitlab.com/d7081/fullprofapp/-/raw/main/src/fpgui/icons/splash.png
        state: development
        version: 1.1.0
        video_installation_url: https://drive.google.com/file/d/1eo_IEvsLW2Zr-iDTu_oQEmy9OUSqr5Ip/preview
        video_demonstration_url: https://drive.google.com/file/d/1qDybdjh7lb0v7upkwd5s4xUF2_7_Mohw/preview
    categories:
        - data-analysis
        - utilities
    git_url: https://gitlab.com/d7081/fullprofapp/
aiida-seigrowth:
    git_url: https://github.com/lucabanetta/aiida-seigrowth
    metadata:
        title: aiida-seigrowth
        description: |
            A plugin to AiiDA for a numerical framework which describes the growth of the Solid Electrolyte Interface across a graphitic anode of a Lithium-ion battery by coupling Pseudo-2Dimensional modeling with Population Balance Modeling.
        authors: L. Banetta, G. Frungieri, G. Boccardo, A. Buffo, M. Vanni, D.L. Marchisio
        external_url: https://github.com/lucabanetta/aiida-seigrowth
        documentation_url: https://github.com/lucabanetta/aiida-seigrowth/blob/main/README.md
        state: development
        version: 0.1.0
    categories:
        - wp3
        - technology-aiida
electrolyte-screening:
    git_url: https://github.com/KIT-Workflows/Electrolyte-Screening
    metadata:
        title: Electrolyte-Screening
        description: |
            In this workflow, we use the SimStack framework features to screening electrolytes systems using DFT calculation.
        authors: Celso R. C. Rêgo, Wolfgang Wenzel
        affiliations: Karlsruhe Institute of Technology
        external_url: https://simstack.readthedocs.io/
        documentation_url: https://github.com/KIT-Workflows/Electrolyte-Screening/blob/main/README.md
        logo: https://raw.githubusercontent.com/KIT-Workflows/Electrolyte-Screening/main/logo_workflow.png
        state: development
        version: '1.0'
        video_installation_url: https://drive.google.com/file/d/19oyqM7oa2XTtTQNIKMYWkDe0KRBgiNUn/preview
        video_demonstration_url: https://drive.google.com/file/d/1meiPgDMHWc3TLQMFh9FepncT7HZLc5kP/preview
    categories:
        - quantum
        - technology-simstack
        - technology-ase
SEI-Builder:
    metadata:
        title: SEI Builder
        description: |
            This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the crystal grains of the inorganic salts formed during the SEI's reaction.
        authors: P. De Angelis, R. Cappabianca, P. Asinari, E. Chiavazzo
        external_url: https://github.com/paolodeangelis/SEI_builder
        documentation_url: https://sei-builder.readthedocs.io
        logo: https://raw.githubusercontent.com/paolodeangelis/SEI_builder/main/img/logo.png
        state: development
        version: 0.1.0
    categories:
        - wp3
        - utilities
        - technology-ase
        - classical
    git_url: https://github.com/paolodeangelis/SEI_builder
HierCVAE:
    categories:
        - generative-model
        - inverse-design
        - ml-metadata
        - wp11
    git_url: https://github.com/raulorteg/HierCVAE-demo
    metadata:
        authors: Raul Ortega
        description: |
            Hierarchical Conditional Variational Autoencoder. A BioLib app for inverse design of molecules given the electron band gap.
        logo: https://githubraw.com/raulorteg/big-map-registry/logo/logo/icon.png
        state: development
        title: HierCVAE
        external_url: https://biolib.com/ATGGAGCTGTACGTTAAG/HierCVAE/
        video_installation_url: https://drive.google.com/file/d/1wO1k1ji85AofscfhtS_DNHCK6e1RefES/preview
        video_demonstration_url: https://drive.google.com/file/d/1Tt9OMlFJ4gDeLmTucc94n1HEHuFMXqxs/preview
yadg:
    metadata:
        title: yadg
        description: |
            yadg: yet another datagram. FAIR data parser for time-resolved experimental data. Part of the dgbowl suite of tools for digital (electro-)catalysis and battery materials research, developed at Empa.
        authors: Peter Kraus, Nicolas Vetsch
        documentation_url: https://dgbowl.github.io/yadg
        logo: https://dgbowl.github.io/images/yadg.png
        state: development
        version: '4.2'
        video_installation_url: https://drive.google.com/file/d/1EZiUGWJi5JKxucrE3joW9re_2H1wJj_r/preview
        video_demonstration_url: https://drive.google.com/file/d/1_lIF8RwCPs4C7zdgNIt_ffMY4lcBmOBA/preview
    git_url: https://github.com/dgbowl/yadg
    categories:
        - technology-lab
        - stakeholder
        - stakeholder-aurora
tomato:
    metadata:
        title: tomato
        description: |
            tomato: au-tomation without the pain. Instrument automation library. Part of the dgbowl suite of tools for digital (electro-)catalysis and battery materials research, developed at Empa.
        authors: Peter Kraus, Loris Ercole
        documentation_url: https://dgbowl.github.io/tomato
        logo: https://dgbowl.github.io/images/tomato.png
        state: development
        version: '0.2'
        video_installation_url: https://drive.google.com/file/d/1bbxr45Rg2PqVjFQeyPnhBX-8BeacKZAO/preview
        video_demonstration_url: https://drive.google.com/file/d/1XSv-EVecshiB3GYqAt4G9J-zNl88a_C8/preview
    git_url: https://github.com/dgbowl/tomato
    categories:
        - technology-lab
        - stakeholder
        - stakeholder-aurora
aiidalab-aurora:
    metadata:
        title: Aurora AiiDAlab
        description: |
            AiiDAlab app for the Autonomous robotic battery innovation platform (Aurora) BIG-MAP Stakeholder initiative
        authors: Edan Bainglass, Francisco F. Ramirez, Loris Ercole, Giovanni Pizzi
        affiliations: Paul Scherrer Institute
        documentation_url: https://aiidalab-aurora.readthedocs.io/en/latest/
        state: registered
        video_installation_url: https://drive.google.com/file/d/1JI6kJq100u1RecCum0BHoz_wiBj8HWay/preview
        video_demonstration_url: https://drive.google.com/file/d/183qPIfW9gQSKq5IU8WmfyVK5o1BcQ4A_/preview
    git_url: https://github.com/EmpaEconversion/aiidalab-aurora
    categories:
        - technology-aiida
        - technology-aiidalab
        - technology-lab
        - stakeholder
        - stakeholder-aurora
qemu-web-desktop:
    metadata:
        title: DARTS
        description: |
            Data Analysis Remote Treatment Service (DARTS) is a remote desktop service that launches virtual machines in the cloud, and displays them in your browser. These machines can be used for, e.g., scientific data treatment. DARTS can be installed and configured in minutes to provide data treatment and simulation environments, for instance running Quantum ESPRESSO (QE) via the Atomic Simulation Environment (ASE). The service is in production at Synchrotron SOLEIL and available to all users having performed an experiment.
        authors: Emmanuel Farhi
        affiliations: SOLEIL
        logo: https://gitlab.com/soleil-data-treatment/soleil-software-projects/remote-desktop/-/raw/master/src/html/desktop/images/darts_logo.png
        state: stable
        documentation_url: https://gitlab.com/soleil-data-treatment/soleil-software-projects/remote-desktop/-/blob/master/README.md
        external_url: https://data-analysis.synchrotron-soleil.fr/qemu-web-desktop/
        video_installation_url: https://drive.google.com/file/d/1WjWOE2OmS1mGJbhQqNeKmHw1hLedmNba/preview
        video_demonstration_url: https://drive.google.com/file/d/1nZxviHK-wKNytk3s_oDE-VV-X4NtWKH9/preview
    git_url: https://gitlab.com/soleil-data-treatment/soleil-software-projects/remote-desktop
    categories:
        - utilities
        - technology-simstack
        - data-analysis
nmrium:
    metadata:
        title: NMRium
        description: |
            NMRium is a tool for visualizing 1D and 2D NMR spectra that are stored in JCAMP-DX format directly in your web browser.
        authors: Luc Patiny, Michaël Zasso, Hamed Musallam, Alejandro Bolaños, Julien Wist
        logo: https://www.nmrium.org/brand/nmrium-logo.svg
        state: stable
        external_url: https://www.nmrium.org
        documentation_url: https://nmrdata.github.io/bigmap-solid-state-nmr/
        video_installation_url: https://drive.google.com/file/d/1bcjOhqqWWtcoPrDTAwXKWPomXVhYLWgU/preview
        video_demonstration_url: https://drive.google.com/file/d/1aVwLnE4DTXMeetz6F1szkbzJFE3phFSM/preview
    git_url: https://github.com/cheminfo/nmrium
    categories:
        - data-visualization
        - data-analysis
galvanicium:
    metadata:
        title: Galvanicium
        description: |
            Galvanicium is a web application made to display and superimpose measurements from potentiostats and battery cyclers.
        authors: Michaël Zasso, Daniel Kostro, Santiago Miranda, Luc Patiny
        logo: https://www.galvanicium.org/images/galvanicium.svg
        state: stable
        documentation_url: https://www.galvanicium.org/
        video_installation_url: https://drive.google.com/file/d/1YeFucfnQkInQ3_eMPGfxniyvcsfHwXMJ/preview
        video_demonstration_url: https://drive.google.com/file/d/1R8CAVJHDeJjafeLsWCFuwbvNdWvaijEO/preview
    git_url: https://github.com/zakodium-oss/galvanicium-app
    categories:
        - data-visualization
dft-qe:
    git_url: https://github.com/KIT-Workflows/DFT-QE
    metadata:
        title: DFT-QE
        description: |
            The DFT-QE WaNo implements various methods available within the Quantum Espresso code.
        authors: Celso R. C. Rêgo
        affiliations: Karlsruhe Institute of Technology
        external_url: https://simstack.readthedocs.io/en/latest/
        documentation_url: https://github.com/KIT-Workflows/DFT-QE/blob/main/README.md
        logo: https://raw.githubusercontent.com/KIT-Workflows/DFT-QE/main/dft_qe_logo.png
        state: development
        version: '1.0'
        video_installation_url: https://drive.google.com/file/d/1SxzWXHU9bHFJ2t8sDkxbl0ItJt4QAiCE/preview
        video_demonstration_url: https://drive.google.com/file/d/1pcQWx9AdOOHhIokv4YfaiatEPhJ01DkF/preview
    categories:
        - quantum
        - technology-simstack
        - technology-ase
datalab:
    git_url: https://github.com/the-grey-group/datalab
    metadata:
        title: Datalab
        description: |
            Datalab is a place to store your experimental data and the connections between them.
        authors: Joshua Bocarsly, Matthew Evans
        external_url: https://github.com/the-grey-group/datalab
        documentation_url: https://the-datalab.readthedocs.io
        logo: https://avatars.githubusercontent.com/u/50706292?s=200&v=4
        state: development
        version: '0.1'
        video_installation_url: https://drive.google.com/file/d/1FnfA-yLWYtJ5MUxaJLcnjeMbwDFJiyRn/preview
        video_demonstration_url: https://drive.google.com/file/d/1TcxbQoYi1AICcDyZHGkmiJbPIaOwdGQ0/preview
    categories:
        - data-management
        - data-analysis
        - stakeholder
EVA:
    metadata:
        title: EVA
        description: |
            Electrochemistry Visualization Application is an application dedicated to electrochemical data analysis.
        authors: Marc Duquesnoy, Matheus Leal De Souza, Mathieu Morcrette, Alejandro A. Franco
        logo: https://www.erc-artistic.eu/fileadmin/user_upload/EVA/images/logo.pdf
        state: development
        documentation_url: https://www.erc-artistic.eu/fileadmin/user_upload/EVA/index.html
        video_installation_url: https://drive.google.com/file/d/1NP_8L_18ZEEsLL2sW4GEqDSMt-juLDTZ/preview
        video_demonstration_url: https://drive.google.com/file/d/10jv0gXQHCo6zBhIH33O_7gT0UIVl9qxV/preview
    git_url: https://github.com/ARTISTIC-ERC/EVA
    categories:
        - data-visualization
        - data-analysis
SEI-Active-learning-workflow:
    git_url: https://github.com/KIT-Workflows/SEI-Model-Active-Learning
    metadata:
        title: SEI-Model-Active-Learning
        description: |
            Workflow for coupling Solid Electrolyte Interface (SEI) model with Active Learning approach
        authors: Mohammad Soleymanibrojeni, Celso R. C. Rêgo
        affiliations: Karlsruhe Institute of Technology
        external_url: https://github.com/KIT-Workflows/SEI-Model-Active-Learning
        documentation_url: https://github.com/KIT-Workflows/SEI-Model-Active-Learning/blob/main/README.md
        logo: https://github.com/KIT-Workflows/SEI-Model-Active-Learning/raw/main/logo.png
        state: development
        # video_installation_url: https://drive.google.com/file/d/1DIGjSCgOasn7t2B-fuI5XZLJRzGUhJ-t/preview
        # video_demonstration_url: https://drive.google.com/file/d/1QQM6aSpWeMOkSUvMQda6NtCbhnrFQCmg/preview
        version: '1.0'
    categories:
        - technology-active-learning
        - technology-simstack
        - wp3
sdlabs-wrapper:
    metadata:
        title: Self-Driving Labs (SDLabs) app
        authors: Daniel Pacheco Gutierrez, Loïc Roch
        affiliations: Atinary Technologies
        description: |
            SDK for closed-loop optimization via the Atinary SDLabs platform.
            Users can define their parameters, objectives and the optimization algorithm of their choice.
            Requires an academic account on the SDLabs platform (https://home.atinary.com/)
        state: development
        documentation_url: https://github.com/Atinary-technologies/sdlabs_wrapper/blob/main/README.md
        video_installation_url: https://drive.google.com/file/d/1ApSBldRU8sDfxHUV2W3k12tjB0sHYEcR/preview
        video_demonstration_url: https://drive.google.com/file/d/11VBP0oHYGzxpNGigSvXQjWxxTooBijfe/preview
        industrial_collaboration: true
    git_url: https://github.com/Atinary-technologies/sdlabs_wrapper
    categories:
        - wp10
        - technology-active-learning
CCS:
    git_url: https://github.com/Teoroo-CMC/CCS
    metadata:
        title: CCS (Curvature Constrained Splines)
        description: |
            CCS is a software tool to generate force fields in a flexible yet robust way.
        authors: AK Akshay Krishna, Eddie Wadbro, Peter Broqvist, Thijs Smolders and Jolla Kullgren
        affiliations: Uppsala Universitet
        external_url: https://github.com/Teoroo-CMC/CCS
        documentation_url: https://teoroo-cmc.github.io/CCS/
        logo: https://github.com/Teoroo-CMC/CCS/raw/master/logo.png
        state: development
        version: 0.22.3
    categories:
        - wp3
        - technology-ase
Onterface:
    metadata:
        title: Onterface
        description: |
            Semantic web platform demonstrator coupling knowledge graphs with simulation and optimization workflows to enable on-click end-user solutions
        authors: Simon Stier, Daniel Pacheco, Lukas Gold, Loïc Roch, Andreas Räder, Matthias Popp
        affiliations: Fraunhofer ISC, Atinary Technologies
        external_url: https://onterface.open-semantic-lab.org/wiki/
        documentation_url: https://onterface.open-semantic-lab.org/wiki/Item:OSW47e059d06b0b4d5e978ad4460dabafaa
        video_installation_url: https://onterface.open-semantic-lab.org/wiki/Special:Redirect/file/OSW216c91ab884945c38bd918a0ad2a94a5.mp4
        video_demonstration_url: https://onterface.open-semantic-lab.org/wiki/Special:Redirect/file/OSWdcf0b1a277184943a7856b53408d7ea6.mp4
        logo: https://onterface.open-semantic-lab.org/w/logo.svg
        state: development
        version: '1.0'
    git_url: https://github.com/BIG-MAP/Onterface
    categories:
        - data-visualization
        - data-management
        - utilities
        - wp7
        - stakeholder
NanoBattVR:
    metadata:
        title: NanoBattVR
        description: |
            A virtual reality lab for exploring battery materials at the atomic level.
            Simulate using either fast classical methods or deploy DFT calculation on a cluster.
        authors: Z. Mahmood, I. Castelli, S. Lysgaard, M. Brandbyge, P. Bøggild
        affiliations: Nanoscale Simulations, Technical University of Denmark
        external_url: https://nanoscale-simulations.itch.io/nanobattvr
        documentation_url: https://github.com/NanoscaleSimulations/NanoBattVR_documentation
        logo: https://nanoscalesimulations.com/Logo/Favicon/Favicon%20(M%C3%B8rk%20baggrund).svg
        state: development
        version: '1.0'
        video_installation_url: https://drive.google.com/file/d/10zuj0nP2qmBhj8mUf-csvExCt7qucUZ6/preview
        video_demonstration_url: https://drive.google.com/file/d/1tdKVQr9l3b6wW-45b2qfGbDpCc-Hrz_v/preview
        industrial_collaboration: true
    categories:
        - neb
        - virtual-reality
BEM-VR:
    metadata:
        title: Battery Electrode Manufacturing VR
        description: |
            This App, developed under the funding of the BIG MAP Stakeholders Initiative, allows
            the user to use through an innovative and intuitive Virtual Reality interface the
            ARTISTIC Online Calculator, an online service developed by  CNRS and
            Université de Picardie Jules Verne -UPJV- (Amiens, France), which allows simulating the
            manufacturing process of lithium ion battery electrodes.
        authors: Alejandro A. Franco, Romain Lelong, Lucie Denisart, Javier Troncoso
        affiliations: CNRS, Université de Picardie Jules Verne (Amiens, France)
        external_url: https://www.modeling-electrochemistry.com/
        documentation_url: https://zenodo.org/records/10424085
        state: development
        version: '1.0'
        video_installation_url: https://drive.google.com/file/d/1dwfK1JsmnGyaDA1QdJDt8So8_hbg2mCb/preview
        video_demonstration_url: https://drive.google.com/file/d/1xkV5Bn8ROJcZhIV8STiQrd0prDvuIqml/preview
        industrial_collaboration: true
    categories:
        - virtual-reality
        - stakeholder