• Description: AtomRDF is a Python tool for ontology-based creation, manipulation, and quering of structures. It uses the Computational Material Sample Ontology (CMSO).
• Installation: Link
  • Requirement: Linux, MacOs or Linux-Subsystem for Windows
• Starting with atomRDF: Examples
• GitHub repository: Link
• Developed by: Max Planck Institut for Sustainable Materials (MPIE), Forschungszentrum Jülich
• Development Mode: own
• Tags: #ontology #MD

• Description: calphy is a Python library and command line tool for calculation of free energies. It uses LAMMPS as the molecular dynamics driver to enable calculation of free energies using thermodynamic integration in a completely automated and efficient manner.
• Installation: Link
  • Requirement: Linux, MacOs or Linux-Subsystem for Windows
• Starting with calphy: Examples
• Developed by: Max Planck Institut for Sustainable Materials (MPIE)
• Development Mode: co-dev
• Tags: #thermodynamics #MD

• Description: Chaldene is a visual programming language specific for solving scientific image processing problems. Executing in jupyer notebooks, it allows to build automated image processing workflows. The system integrates different image processing libraries including OpenCV, Pillow, Kornia and others.
• GitHub repository: Link
• Developed by: Deutsches Forschungszentrum für Künstliche Intelligenz GmbH (DFKI)
• Development Mode: co-dev
• Tags: #visualprogramming #imageprocessing #workflow

• Description: Common format to describe experimental and numerical workflows.

more information coming soon

• Description: CompositionSpace is a Python library for analysis of APT data.
• Installation: Link
  • Requirement: conda environment
• Developed by: Max Planck Institut for Sustainable Materials (MPIE)
• Development Mode: co-dev
• Tags: #APT #dataanalysis

• Description: The Data Collections Explorer is an easy-to-use information system that provides an overview of research data repositories, archives, databases as well as individually published data sets. Locally installed and with an adapted user interface it supports publishing and discovering data sets within a community or project.
• Developed by: NFDI4Ing
• Development Mode: co-dev
• Tags: #Repositories #DataSets

• Description: Data stewardship is the responsible planning and executing of all actions on digital data before, during and after a research project, with the aim of optimizing the usability, reusability and reproducibility of the resulting data.

   

• More information coming soon
• Installation: on Linux (Link), on Windows/Mac (Link), on NAS (Link), in the cloud (Link)
• Starting with eLabFTW: User Guide, Admin Guide, Sysadmin Guide
• Tags: #ELN

• More information coming soon
• GitHub repository: Link

• Description: This cookbook shall guide the reader through the different use cases when adopting, maintaining and using FAIR Digital Objects.
• Developed by: Karlsruhe Institute of Technology
• Development Mode: co-dev
• Tags: #FAIR-DO

• Description: Ironflow combines ryven, ipycanvas and ipywidgets to provide a Jupyter-based visual scripting gui for running pyiron workflow graphs.
• GitHub repository: Link
• Developed by: Max Planck Institut for Sustainable Materials (MPIE)
• Development Mode: co-dev
• Tags: #workflow #visualprogramming

• Description: The Mapping Service is a tool designed to extract metadata from different data-files, and map this metadata to published metadata schemas.
• GitHub repository: Link
• Developed by: Karlsruhe Institute of Technology
• Development Mode: co-dev
• Tags: #Mapping

• Description: Data management services and graphical user interface for registering, preserving, accessing, and finding data. Instances of the NFDI-MatWerk Data Repository can also be installed locally and optimized according to the users’ needs.
• Installation: not needed, log in here
• GitHub repository: Link
• Developed by: Karlsruhe Institute of Technology
• Development Mode: own
• Tags: #RDM #Repository #Metadata

• Description: Metadata management services for registering, preserving, accessing, and finding metadata schemas and documents in XML and JSON format. Instances of the NFDI-MatWerk Metadata Repository can also be installed locally and optimized according to the users’ needs.
• GitHub repository: Link
• Installation: not needed, log in here. 
• Developed by: Karlsruhe Institute of Technology
• Development Mode: own
• Tags: #RDM #Repository #Metadata

more information coming soon

• Description: The Metadata Editor is a JavaScript library allowing to generate web forms and validate metadata in an intuitive and generic way.
• Starting with Metadata Editor: Example
• GitHub repository: Link
• Developed by: Karlsruhe Institute of Technology
• Development Mode: co-dev

• Description: Service for interacting with different kinds of metadata repositories implementing the turntable API or at least a mapping for it.
• Git Repository (RWTH): Link
• Developed by: Karlsruhe Institute of Technology, RWTH Aachen University
• Development Mode: co-dev
• Tags: #Metadata #Repositories #Mapping

• Description: The Metadata Standards Catalog is an information platform for users looking for metadata standards and tools.
• Developed by: Karlsruhe Institute of Technology
• Development Mode: co-dev

more information coming soon

• Description: The favorite ELN for experimental scientists. PASTA-ELN makes it easy and convenient for an experimental scientist to organize raw data with metadata.
• Installation: Link
  • Requirement: python
• Starting with PastaELN: User Stories, Tutorial
• Developed by: Forschungszentrum Jülich
• Development Mode: own
• Tags: #ELN

• Description: The pid-component is a reusable and highly extensible web component for framework-agnostic visualization of a variety of inputs, including PIDs, Data Types, ORCiDs, and others.
  For users, the pid-component provides a clean, uniform, and minimalistic interface for consuming FAIR-DOs, while developers can easily integrate it into their platforms with minimal effort. 
• Github Repository: Link
• Developed by: Karlsruhe Institute of Technology

• Description: Pyiron is an integrated development environment for computational materials science workflows. It combines several tools in a common platform: atomic structure objects, atomistic simulation codes, feedback loops, hierarchical data management, integrated visualization and object oriented job management.
• Installation: Link
  • Requirement: python
• Starting with atomRDF: Tutorials
• Github Repository: Link
• Developed by: Max Planck Institut for Sustainable Materials (MPIE), Bundesanstalt für Materialforschung und -prüfung (BAM)
• Development Mode: co-dev
• Tags: #workflow #IDE

• Description: Fitting machine learning interatomic potentials with pyiron.

• GitHub repository: Link

   

• Description: pyiron_workflow is a framework for constructing workflows as computational graphs from simple Python functions. Its objective is to make it as easy as possible to create reliable, reusable, and sharable workflows, with a special focus on research workflows for HPC environments.
• Installation: Link
• Github Repository: Link
• Developed by: Max Planck Institut for Sustainable Materials (MPIE)
• Development Mode: co-dev
• Tags: #workflow

• Description: pyscal is a python module for the calculation of local atomic structural environments including Steinhardt’s bond orientational order parameters during post-processing of atomistic simulation data.
• Installation: Link for pyscal, Link for pyscal3
• Starting with pyscal: Examples & Tutorials for pyscal
• GitHub repository: Link for pyscal, Link for pyscal3
• Developed by: Max Planck Institut for Sustainable Materials (MPIE)
• Development Mode: co-dev
• Tags: #MD

• Description: Research-Object-Crate is a flexible research data package format. It allows you to package or link to data and describe it in a machine-readable and human-readable way. It uses Linked Data (JSON-LD) to describe its content.
• Starting with RO-Crate-Java: Examples
• Github Repository: Link
• Developed by: Karlsruhe Institute of Technology
• Development Mode: co-dev

• Description: Service to publish vocabularies. Currently available is the MatWerk Acronyms Vocabulary. Other vocabularies are in development and will follow in the future.
• Developed by: Karlsruhe Institute of Technology
• Development Mode: co-dev
• Tags: #Metadata #Terminology

more information coming soon

more information coming soon

• Description: The Typed PID Maker is an entry point to integrate digital resources into the FAIR Digital Object (FAIR DO) ecosystem. It allows creating PIDs for resources and to provide them with the necessary metadata to ensure that the resources can be found and understood.
• Installation: Link
  • Requirements: Java SE Development Kit 11 (or OpenJDK 11) or higher
• Github Repository: Link
• Developed by: Karlsruhe Institute of Technology
• Development Mode: co-dev

• Description: Software providing a server for creating and managing annotations based on the Web Annotation Data Model (WADM) implementing the complete Web Annotation Protocol (WAP).
• Installation: Link
• GitHub repository: Link
• Developed by: Karlsruhe Institute of Technology
• Development Mode: co-dev