big-map-registry/apps.yaml at main · eibfl-dtu/big-map-registry · GitHub

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aiidalab-qe:
  categories:
  - technology-aiida
  - technology-aiidalab
  - quantum
  git_url: https://github.com/aiidalab/aiidalab-qe.git
  metadata:
    authors:
      $ref: https://aiidalab.github.io/aiidalab-qe/metadata.json#authors
    description: |
      Compute band structures and other structure properties with Quantum ESPRESSO
      on the AiiDAlab platform.
    logo: https://raw.githubusercontent.com/aiidalab/aiidalab-qe/master/miscellaneous/logos/QE.jpg
    state:
      $ref: https://aiidalab.github.io/aiidalab-qe/metadata.json#state
    title: Quantum ESPRESSO AiiDAlab app
    external_url: https://www.materialscloud.org/work/aiidalab
    version:
      $ref: https://aiidalab.github.io/aiidalab-qe/metadata.json#version
optimade-web:
  categories:
  - technology-materials-cloud
  - utilities
  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
    title: OPTIMADE Web Client
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
    external_url: https://www.simstack.de
    documentation_url: https://github.com/KIT-WaNos/DFT_VASP/blob/main/README.md
    logo: https://raw.githubusercontent.com/KIT-Workflows/DFT-VASP/main/DFT-VASP.png
    state: development
    version: '1.0'
  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:
  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
    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/Surface/Surface.png
    state: development
    version: '1.0'
  categories:
     - quantum
     - technology-simstack
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
    external_url: https://biolib.com/jbusk/qm9-schnet-uncertainty/
    logo: https://raw.githubusercontent.com/jonasbusk/big-map-registry/logo/images/icon.png
    state: development
  categories:
     - technology-ase
HELAO:
  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
    external_url: https://github.com/helgestein/helao-pub
    documentation_url: https://github.com/helgestein/helao-pub/blob/master/helao%20guide.pdf
    logo: https://github.com/helgestein/helao-pub/blob/master/helaologo.svg
    state: development
    version: '2.1'
  categories:
    - technology-lab
    - technology-active-learning