Pinned Repositories
chromatopy
🌈 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.
EnzymePynetics
md-models
⚒️ - Rust parser for markdown data models
mixturemm
A python package for the simulation and analysis of mixtures in openMM.
pyAnIML
🧪 - Data management framework based on AnIML.
pyThermoML
Data management framework based on ThermoML
SAS-tools
Various tools to work with and manage data from SAXS and SANS experiments according to the FAIR principles.
SAS-workflows
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.
sdrdm-template
software-driven-rdm
🚀 - Generate powerful Python code from verbose markdown documents
FAIR Chemistry's Repositories
FAIRChemistry/software-driven-rdm
🚀 - Generate powerful Python code from verbose markdown documents
FAIRChemistry/chromatopy
🌈 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.
FAIRChemistry/md-models
⚒️ - Rust parser for markdown data models
FAIRChemistry/EnzymePynetics
FAIRChemistry/chromatography-example
FAIRChemistry/PeakFitting
Tools for evaluating chromatograms.
FAIRChemistry/py-mdmodels
FAIRChemistry/pyThermoML
Data management framework based on ThermoML
FAIRChemistry/sdrdm-template
FAIRChemistry/.github
FAIRChemistry/datamodel_a03
Preliminary data model for CRC 1333 project A03.
FAIRChemistry/FAIRDaRUS
FAIRChemistry/minisymposium-workshop-2024
Example and data for the Minisymposium 2024 workshop on the 17th of May.
FAIRChemistry/MTPHandler
🔬 mtphandler is Python package for processing, enriching, and converting microtiter plate data into standardized EnzymeML time-course data, ready for data science
FAIRChemistry/nmrML-specifications
Specification for nmrML according to sdRDM.
FAIRChemistry/SAS-tools
Various tools to work with and manage data from SAXS and SANS experiments according to the FAIR principles.
FAIRChemistry/animl-specification
FAIRChemistry/animl-specifications
Specifications of Analytical Information Markup Language (AnIML) according to sdRDM.
FAIRChemistry/CaliPytion
🧑🔬 Tool for managing and analyzing data from calibration measurements for subsequent concentration calculaton
FAIRChemistry/datamodel-electrochemistry
Preliminary data model describing electrochemistry experiments.
FAIRChemistry/datamodel_b06
Preliminary data model for CRC 1333 project B06.
FAIRChemistry/FAIRFlow
FAIRChemistry/IRAnalysis
Toolkit for the analysis of Pyridine-adsorbed FT-IR
FAIRChemistry/md-models-chat
FAIRChemistry/md-models-macro
⚙️ - Rust macro to convert Markdown Data Models into usable code
FAIRChemistry/mdmodels-editor
FAIRChemistry/nmrpy_tutorial
Tutorial notebook and data for the 5th EnzymeML workshop.
FAIRChemistry/pySummerSchool24
Workshop repository for the CRC 1333 Summer School 2024.
FAIRChemistry/substance-query
A research data model based ipywidget for querying chemical substances
FAIRChemistry/substance-specifications
Specifications of research data models capturing various chemical substances in different levels of abstraction.