uravu
uravu: Making Bayesian modelling easy(er) - Published in JOSS (2020)
Fitspy
Fitspy: A Python package for spectral decomposition - Published in JOSS (2024)
spectrafit
📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution functions.
interactive_data_editor
A Software to interactively edit data in a graphical manner
diffusional-fitter
This program fits diffusional baselines to cyclic voltammetry data, allowing for a more accurate measurement of peak Faradaic current than linear methods.
swissfit
General-purpose library for fitting models to data with correlated Gaussian-distributed noise
flama
This code adjusts interatomic potentials from a reference database of atomic structures and their corresponding DFT energies. For the calculation of energies from atomic positions, it uses the GULP or LAMMPS program via an interface. The adjustment of the potentials is done by means of a genetic algorithm. The code has been tested for the calculation of interatomic potentials of perovskites PbCs(Br,I,Cl)3 and Pb(MA,FA,Cs)(Br,I)3. The calculation of the reference database of energies and geometries was calculated using the VASP code.