Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.
☆42Dec 23, 2024Updated last year
Alternatives and similar repositories for pyFitIt
Users that are interested in pyFitIt are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- FDMNES☆11Jan 28, 2021Updated 5 years ago
- Core-Level Spectroscopy Simulations in Python☆46Updated this week
- python wrapper for fdmnes data input/output☆14Feb 16, 2026Updated 7 months ago
- GUI for 2D XANES fitting☆20Jul 7, 2026Updated 3 months ago
- Analysis of EXAFS Spectra using AI☆19Jul 2, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Toyota Research Institute X-ray Spectroscopy. Tools for machine learning of XANES.☆12Jan 31, 2022Updated 4 years ago
- Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (…☆182Oct 2, 2026Updated last week
- Official Repository of the Optados code☆25Nov 14, 2025Updated 10 months ago
- ☆13Sep 25, 2026Updated 2 weeks ago
- A python program for calculating the mass of XAFS [X-Ray Absorption Fine Structure] samples. The chemical formula parser understands pare…☆12Apr 17, 2026Updated 5 months ago
- Educational materials for XAS training courses☆26May 13, 2024Updated 2 years ago
- X-ray Reference Data in SQLite library, including Python interface☆80Jun 6, 2026Updated 4 months ago
- A one-stop-shop for handling data in computational spectroscopy☆19Jan 26, 2026Updated 8 months ago
- ☆34Jul 29, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 4 years ago
- Process and analyze X-ray Absorption Spectroscopy data using Feff and either Larch or Ifeffit.☆88Jun 3, 2025Updated last year
- ☆12Jun 26, 2023Updated 3 years ago
- New version of shadow rewritten in python☆17Oct 1, 2026Updated last week
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 3 years ago
- Machine learning fitting for Electron Energy Loss Spectroscopy☆13Feb 18, 2025Updated last year
- Ptypy - main repository☆51Updated this week
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆19Sep 19, 2022Updated 4 years ago
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆61Jun 13, 2025Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Process EELS systematically: align, normalize, PCA, LLR_denoise, plot, find peak.☆13May 13, 2019Updated 7 years ago
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated 6 months ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆18Sep 24, 2026Updated 2 weeks ago
- Tools related to X-ray absorption spectroscopy (XAS)☆19Jul 5, 2024Updated 2 years ago
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Nov 29, 2020Updated 5 years ago
- ☆19Aug 10, 2023Updated 3 years ago
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆46Nov 3, 2022Updated 3 years ago
- pyMCR: Multivariate Curve Resolution for Python☆100Oct 26, 2021Updated 4 years ago
- Automated Rietveld refinement code for FullProf software☆13Apr 4, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Veidt is a deep learning library for materials science.☆18May 5, 2020Updated 6 years ago
- Reads crystallographic cif files and simulates diffraction☆78Sep 15, 2025Updated last year
- ☆13Aug 19, 2026Updated last month
- Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)☆10Feb 26, 2025Updated last year
- IUPAC Project 2019-031-1-024 FAIR Spectroscopy Data Specification☆12Jun 16, 2026Updated 3 months ago
- Oasys School☆12Apr 28, 2022Updated 4 years ago
- Symmetry data and utilities related to crystallography and X-ray scattering☆27Jul 7, 2023Updated 3 years ago