Python package for fitting dielectric/Raman/IR spectral data with an arbitrary number of different lineshape functions
☆14Mar 12, 2026Updated 2 weeks ago
Alternatives and similar repositories for spectrumfitter
Users that are interested in spectrumfitter are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Non-linear Schrodinger Equation Solver☆13Feb 20, 2026Updated last month
- A full-stack, cross-platform software for generating, compiling, and executing quantum circuits for simulating quantum many-body dynamics…☆17Jun 2, 2021Updated 4 years ago
- BoFiN HEOM Python version.☆17Aug 28, 2023Updated 2 years ago
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆11Mar 22, 2024Updated 2 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Public releases of the NeuralIL differentiable neural-network force field☆14Sep 10, 2024Updated last year
- Many-Body Perturbation solvers for Green project☆13Mar 9, 2026Updated 2 weeks ago
- Testing the performance of different tensor network architectures on MNIST classification tasks.☆11Jun 1, 2020Updated 5 years ago
- Polarisable force field for ionic liquids☆17Feb 11, 2026Updated last month
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆40Apr 7, 2019Updated 6 years ago
- Abinitio Dynamical Vertex Approximation☆15Dec 17, 2019Updated 6 years ago
- A python package to represent data using musical notes.☆12Dec 31, 2020Updated 5 years ago
- CheTo - Chemical Topic Modeling☆34Apr 12, 2021Updated 4 years ago
- This is a biweekly mini-project series.☆13Jul 7, 2021Updated 4 years ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- FT-MS data analysis with Python☆15Oct 23, 2024Updated last year
- hybrid classical-quantum transfer learning for cardiomegaly detection on chest x-rays☆13Jul 12, 2023Updated 2 years ago
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆24Updated this week
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 2 years ago
- Calculate allowed interactions in QED☆10Nov 2, 2022Updated 3 years ago
- Simple Hartree-Fock codes in Python, C++, fortran☆15Mar 3, 2018Updated 8 years ago
- Automatically exported from code.google.com/p/elba-lammps☆21Feb 9, 2016Updated 10 years ago
- A Python (version 2.7) script for calculating the IR spectrum based on the Fast Fourier Transform (FFT) of the Auto-Correlation Function …☆19Jun 19, 2023Updated 2 years ago
- Some scripts for gpumd and nep☆21Oct 10, 2024Updated last year
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- ☆19Oct 24, 2018Updated 7 years ago
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆19Oct 5, 2019Updated 6 years ago
- ☆20Jan 12, 2023Updated 3 years ago
- Solve global polynomial optimization problems of either commutative variables or noncommutative operators through a semidefinite programm…☆58Jun 4, 2018Updated 7 years ago
- Basic implementation 4th order Runge Kutta method for ODE's☆11Oct 27, 2021Updated 4 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated last year
- View the slides here: https://rawgit.com/benmarwick/CSSCR-2018-R-Markdown-for-Research-Students/master/uw-csscr-huskydown-slides.html☆16Apr 4, 2018Updated 7 years ago
- A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations☆31Jul 11, 2025Updated 8 months ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆29Nov 14, 2023Updated 2 years ago
- Quantum Computing Cheat Sheet☆26Nov 8, 2016Updated 9 years ago
- Tight-binding calculations in Mathematica☆14Dec 18, 2025Updated 3 months ago
- Simulations for light-pulse atom interferometry☆13Updated this week
- Creating dynamic libraries that can be loaded in the Wolfram Language via `LibraryLink`☆14Aug 21, 2019Updated 6 years ago
- Amons-based quantum machine learning for quantum chemistry☆25Nov 4, 2025Updated 4 months ago
- A package for visualizing molecules.☆12Sep 29, 2019Updated 6 years ago