Heinz Maier-Leibnitz Zentrum
Garching, Germany
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12
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Made2Reflect
Compute Neutron and X-ray reflectivity from molecular dynamics simulations.
- Data analysis
- Matter
- Molecular Dynamics
- + 4
- Python
- Shell
- Dockerfile
2
0
Pyrratt
Bayesian fitting of numerical models to experimental data, returning the full posterior rather than a single best fit. Built on NumPyro/JAX; especially suited to neutron/X-ray reflectivity curves via the md2reflect Abelès/Parratt backend.
- Bayesian
- Data analysis
- FAIR Data
- + 4
- Python
- Shell
1
0
Sassena
Sassena is a program to calculate X-ray and neutron scattering patterns from Molecular Dynamics simulations in the Born approximation.
- C++
- High performance computing
- Matter
- + 2
- C++
- Python
- Shell
- + 2
3
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