• 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 NFDI-MatWerk: Max Planck Institute for Sustainable Materials GmbH, Forschungszentrum Jülich, Ruhr Universität Bochum
• Tags: #ontology #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
• Co-Developed by NFDI-MatWerk: Deutsches Forschungszentrum für Künstliche Intelligenz GmbH (DFKI)
• Tags: #visualprogramming #imageprocessing #workflow

• Description: Common format to describe experimental and numerical workflows.
• Developed by NDFI-MatWerk

more information coming soon

more information coming soon

• Description: CompositionSpace is a Python library for analysis of APT data.
• GitHub: Link
• Installation: Link
• Co-Developed by NFDI-MatWerk: Max Planck Institute for Sustainable Materials GmbH
• Tags: #APT #dataanalysis

• 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.
• Developed by NFDI-MatWerk

• Description: The TypeRegistry is an open-source platform that provides a structured and standardized way to define, share, and manage data types across different applications and domains. It enables interoperability by offering a common language for data modeling, making it easier to integrate and exchange information between systems.
• Installation: Cordra is needed first for installation; all information can be found here

• Description: The ELN File Format (.eln) is a standardized file format for electronic laboratory notebooks. It is designed to store experimental data and related information in a structured way and to enable exchange between different ELN systems.
• Github Repository: Link
• Co-developed by NFDI-MatWerk: Forschungszentrum Jülich

• Description: executorlib is a Python library for running computational tasks in a scalable way, from local machines to high-performance computing systems.
• Github Repository: Link
• Co-developed by NFDI-MatWerk: Max Planck Institute for Sustainable Materials (MPI-SusMat)

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

• Description: Various large language models can be utilized within NFDI-MatWerk, as the curated and structured data provide a valuable foundation for their application.

• 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
• Co-Developed by NFDI-MatWerk: Karlsruhe Institute of Technology
• 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 NFDI-MatWerk: Karlsruhe Institute of Technology
• 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 NFDI-MatWerk: Karlsruhe Institute of Technology
• Tags: #RDM #Repository #Metadata

• Description: The MSE Knowledge Graph v2.0 is an updated version that is BFO-compliant, aligning with the Basic Formal Ontology to ensure semantic interoperability and ontological rigor. This updated version aims to represent consortium resources and enable integrative access to distributed, heterogeneous research data within the NFDI-MatWerk community and beyond.
• GitHub repository: Link
• Installation: not needed.
• Developed by NFDI-MatWerk: FIZ Karlsruhe – Leibniz Institute for Information Infrastructure
• Tags: #KG #ontology #metadata

• 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
• Co-Developed by NFDI-MatWerk: Karlsruhe Institute of Technology, RWTH Aachen University
• Tags: #Metadata #Repositories #Mapping

• Description: The openBIS Material Science Schema is an extension schema for openBIS that defines metadata fields, sample types, and data structures specific to materials science. It enables the organization of experiments, sample preparation, characterization, and datasets in a consistent framework.
• GitHub: Link
• Developed by NFDI-MatWerk: RWTH Aachen (CRC 1394)

• Description: OpenbisTools is a software toolkit that provides auxiliary tools and utilities for working with openBIS. It includes scripts and modules to assist with data management tasks, metadata handling, and integration with workflows.
• GitHub: Link
• Developed by NFDI-MatWerk: RWTH Aachen (CRC 1394)

• Description: Electronic lab notebook (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 NFDI-MatWerk: Forschungszentrum Jülich

• 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 pyiron: Tutorials
• Github Repository: Link
• Co-Developed by NFDI-MatWerk: Max Planck Institute for Sustainable Materials GmbH, Bundesanstalt für Materialforschung und -prüfung (BAM)
• Tags: #workflow #IDE

• Description: Enables APT analysis with pyiron(_workflows). Represents a collection of nodes/pyiron jobs to collaboratively develop APT workflows. Part of IUC09 NFDI-MatWerk.
• GitHub repository: Link
• Co-Developed by NFDI-MatWerk: Physics Department and CSMB, Humboldt-Universität zu Berlin, MPIE, and RUB.

• Description: GUI implementation/ visual programming interface that currently works on top of pyiron_workflow.
• GitHub repository: Link
• Installation: Link
• Co-Developed by NFDI-MatWerk: Max Planck Institute for Sustainable Materials GmbH, Bundesanstalt für Materialforschung und -prüfung (BAM)

• Description: Fitting machine learning interatomic potentials with pyiron.
• GitHub repository: Link
• Co-developed by NFDI-MatWerk

• 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
• Co-Developed by NFDI-MatWerk: Max Planck Institute for Sustainable Materials GmbH
• 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
• Co-Developed by NFDI-MatWerk: Max Planck Institute for Sustainable Materials GmbH, Ruhr-Universität Bochum
• Tags: #MD

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
• Co-Developed by NFDI-MatWerk: Karlsruhe Institute of Technology

• Description:  tools4RDF is a Python toolkit for working with RDF data, SPARQL queries, and semantic networks.
• Installation: Link
• Github Repository: Link
• Developed by NFDI-MatWerk: Forschungszentrum Jülich, Ruhr Universität Bochum, Max Planck Institute for Sustainable Materials GmbH