raman-noodles / Raman-noodlesLinks
Repository containing code for analysis of Raman and IR spectra datasets
☆27Updated 4 years ago
Alternatives and similar repositories for Raman-noodles
Users that are interested in Raman-noodles are comparing it to the libraries listed below
Sorting:
- Python code to identify and calculate decomposition of materials using Raman spectroscopy☆27Updated 4 years ago
- A one-stop-shop for handling data in computational spectroscopy☆17Updated 3 weeks ago
- Plots IR spectra from from ORCA output files☆22Updated last year
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆153Updated this week
- A python script to plot an energy level diagram from an input file.☆30Updated 5 years ago
- Python Package for electrochemical analysis☆24Updated 7 months ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆46Updated this week
- Routines for rotational spectroscopy analysis written in Python 3☆31Updated last year
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆41Updated 11 months ago
- Analyse Rotational Diffusion Tensor from MD Simulations☆22Updated last year
- Plots absorption spectra from from ORCA output files☆20Updated last year
- A program for the analysis of NMR data.☆27Updated last year
- Thermodynamic Phase Diagram Generator☆56Updated 3 years ago
- Tutorials for DeepModeling projects.☆15Updated 8 months ago
- ☆30Updated 3 weeks ago
- A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…☆54Updated 6 months ago
- Debye's scattering equation & other analysis of atomistic models.☆56Updated 2 years ago
- ☆21Updated 5 years ago
- X-ray diffraction data analysis for high pressure and high temperature experiments☆18Updated 9 months ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆27Updated last week
- Code to help you get started using machine learning in materials science☆18Updated 6 years ago
- A Python library for NMR simulation☆25Updated last year
- A fast solid-state NMR spectrum simulation and analysis library.☆41Updated last week
- python simulation interface for molecular modeling☆100Updated 3 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆28Updated last year
- Agent-based sequential learning software for materials discovery☆63Updated last year
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Updated 8 years ago
- A framework for processing adsorption data and isotherm fitting☆80Updated 9 months ago
- High-throughput DFT of MOFs using ASE/VASP☆29Updated 2 years ago
- Python tool to manipulate Gaussian cube files☆49Updated 2 years ago