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    30 repositories

    • IRAnalysis

      Public
      Toolkit for the analysis of Pyridine-adsorbed FT-IR
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Nov 6, 2024Nov 6, 2024

    • chromatopy

      Public
      🌈 chromatopy is a Python package designed to streamline the processing and analysis of chromatographic data, enabling efficient metadata enrichment and conversion to EnzymeML format for further analysis.
      enzymegckineticschromatographyhplcfair-datacatalysisenzymemltime-course
      Python
      •
      MIT License
      •0•1•6•0•Updated Nov 4, 2024Nov 4, 2024

    • md-models

      Public
      ⚒️ - Rust parser for markdown data models
      Rust
      •
      MIT License
      •1•1•2•0•Updated Oct 23, 2024Oct 23, 2024

    • FAIRFlow

      Public
      Python
      •1•0•0•0•Updated Oct 17, 2024Oct 17, 2024

    • MTPHandler

      Public
      🔬 mtphandler is Python package for processing, enriching, and converting microtiter plate data into standardized EnzymeML time-course data, ready for data science
      platemtpspectrophotometerenzyme-kineticsbiocatalysismicrotiter
      Python
      •
      MIT License
      •1•0•1•0•Updated Oct 7, 2024Oct 7, 2024

    • pySummerSchool24

      Public
      Workshop repository for the CRC 1333 Summer School 2024.
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Oct 1, 2024Oct 1, 2024

    • nmrpy_tutorial

      Public
      Tutorial notebook and data for the 5th EnzymeML workshop.
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Sep 24, 2024Sep 24, 2024

    • CaliPytion

      Public
      🧑‍🔬 Tool for managing and analyzing data from calibration measurements for subsequent concentration calculaton
      datachemistrybiologycalibrationfairenzymemlstandard-curve
      Python
      •1•0•1•0•Updated Sep 21, 2024Sep 21, 2024

    • animl-specifications

      Public
      Specifications of Analytical Information Markup Language (AnIML) according to sdRDM.
      Python
      •1•0•0•0•Updated Aug 29, 2024Aug 29, 2024

    • substance-query

      Public
      A research data model based ipywidget for querying chemical substances
      Python
      •
      MIT License
      •0•0•0•0•Updated Aug 7, 2024Aug 7, 2024

    • substance-specifications

      Public
      Specifications of research data models capturing various chemical substances in different levels of abstraction.
      MIT License
      •0•0•0•0•Updated Aug 7, 2024Aug 7, 2024

    • software-driven-rdm

      Public
      🚀 - Generate powerful Python code from verbose markdown documents
      Python
      •4•5•2•5•Updated May 28, 2024May 28, 2024

    • FAIRDaRUS

      Public
      Python
      •0•0•0•0•Updated May 17, 2024May 17, 2024

    • pyThermoML

      Public
      Data management framework based on ThermoML
      pythonthermomlthermophysics
      Python
      •
      BSD 2-Clause "Simplified" License
      •0•1•0•0•Updated May 16, 2024May 16, 2024

    • minisymposium-workshop-2024

      Public
      Example and data for the Minisymposium 2024 workshop on the 17th of May.
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated May 16, 2024May 16, 2024

    • .github

      Public
      0•0•0•0•Updated May 14, 2024May 14, 2024

    • chromatography-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Mar 5, 2024Mar 5, 2024

    • EnzymePynetics

      Public
      Jupyter Notebook
      •0•2•1•0•Updated Jan 8, 2024Jan 8, 2024

    • datamodel-electrochemistry

      Public
      Preliminary data model describing electrochemistry experiments.
      Python
      •0•0•0•1•Updated Nov 9, 2023Nov 9, 2023

    • SAS-tools

      Public
      Various tools to work with and manage data from SAXS and SANS experiments according to the FAIR principles.
      analyticssasrdmsaxssans
      Python
      •
      MIT License
      •2•0•0•0•Updated Jul 13, 2023Jul 13, 2023

    • nmrML-specifications

      Public
      Specification for nmrML according to sdRDM.
      Python
      •0•0•0•0•Updated Jun 29, 2023Jun 29, 2023

    • sdrdm-template

      Public template
      Python
      •11•1•0•0•Updated Jun 13, 2023Jun 13, 2023

    • datamodel_b06

      Public
      Preliminary data model for CRC 1333 project B06.
      Python
      •
      MIT License
      •0•0•0•1•Updated Apr 6, 2023Apr 6, 2023

    • PeakFitting

      Public
      Tools for evaluating chromatograms.
      Python
      •2•1•0•0•Updated Mar 15, 2023Mar 15, 2023

    • datamodel_a03

      Public
      Preliminary data model for CRC 1333 project A03.
      Python
      •
      MIT License
      •0•0•0•0•Updated Jan 25, 2023Jan 25, 2023

    • datamodel_b02_tc

      Public
      Preliminary data model for CRC 1333 project B02.
      Python
      •0•0•0•0•Updated Jan 23, 2023Jan 23, 2023

    • pyAnIML

      Public
      🧪 - Data management framework based on AnIML.
      Python
      •
      MIT License
      •0•1•2•0•Updated Dec 30, 2022Dec 30, 2022

    • SAS-workflows

      Public
      FAIR workflows for SAXS and SANS data, e.g. conversion of SAXS output (.pdh) to AnIML, data analysis & visualization, upload to DaRUS repository. Implemented as Jupyter Notebooks.
      analyticssasrdmsaxssans
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Dec 30, 2022Dec 30, 2022

    • pyThermoML_workflow

      Public
      Workflow of the paper: Integration of simulated and experimentally determined thermophysical properties of aqueous mixtures by ThermoML
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Oct 14, 2022Oct 14, 2022

    • mixturemm

      Public
      A python package for the simulation and analysis of mixtures in openMM.
      Python
      •
      MIT License
      •0•2•0•0•Updated Jun 20, 2022Jun 20, 2022