Helmholtz-Zentrum Berlin für Materialien und Energie
NeXusCreator
Python CLI & API for converting heterogeneous experimental data into validated NeXus (HDF5) files using reusable mapping templates and extensible workflows.
- Python
- Makefile
- Shell
Openclatura
Openclatura is a deterministic SMILES-to-IUPAC name rule-based generator derived form the IUPAC Blue Book 2013 recommendations.
- Chemistry
- iupac
- open source
- + 2
- Python
- Shell
- Dockerfile
python-icat
Python interface to ICAT and IDS
- metadata
- metadata catalogue
- python
- + 1
- Python
- XSLT
- Roff
- + 1
QuaCCAToo
QuaCCAToo is a Python library for simulating and analyzing spin dynamics of color centers under different experiments. The systems’ time evolution under pulsed sequences are calculated through quantum master equations based on the provided Hamiltonian, with realistic pulses in the laboratory frame.
- Color Centers
- Pulsed Experiments
- Quantum Technologies
- + 1
- Python
RayPyNG
raypyng provides a simple API to work with RAY-UI, a software for optical simulation of synchrotron beamlines and x-ray systems developed by Helmholtz-Zentrum Berlin.
RAYX
Optical Simulation Software for Synchrotron Radiation
- C++
- open source
- python
- + 4
- C++
- Python
- CSS
- + 8