☆24Mar 12, 2026Updated 4 months ago
Alternatives and similar repositories for unixmd
Users that are interested in unixmd are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆25Jan 4, 2026Updated 6 months ago
- ☆36Jan 31, 2024Updated 2 years ago
- General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels,…☆12Sep 10, 2023Updated 2 years ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆21Jun 1, 2021Updated 5 years ago
- This is a mirror. See https://gitlab.com/team-parker/mudslide for development☆20May 23, 2026Updated 2 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆14Oct 7, 2019Updated 6 years ago
- Tutorials showcasing various capabilities of Libra☆28Jun 27, 2026Updated last month
- The main branch of the Pyxaid code☆12May 12, 2017Updated 9 years ago
- ☆59Updated this week
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 5 months ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- OMNI-P2x: A universal neural network potential for excited states☆15Mar 19, 2026Updated 4 months ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jun 11, 2026Updated last month
- Framework for Molecular Aggregate Excitation☆32May 12, 2026Updated 2 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- This repository contains python code developed by undergrad students of the Physics faculty of the University of Barcelona which can be u…☆13Nov 6, 2025Updated 8 months ago
- Python quantum chemistry (experimental and test routines)☆12May 21, 2021Updated 5 years ago
- This is a python module that solves one-dimensional potentials using a discrete variable representation method.☆12Jul 25, 2022Updated 4 years ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆30Feb 6, 2025Updated last year
- molecule design for fluorescence☆12Nov 22, 2021Updated 4 years ago
- ☆11Mar 13, 2021Updated 5 years ago
- A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.☆14Mar 20, 2018Updated 8 years ago
- MLQD is a Python Package for Machine Learning-based Quantum Dissipative Dynamics☆18Sep 3, 2024Updated last year
- ☆17Sep 7, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Inputs and hand-outs for a PIMD tutorial based on i-PI☆15Jun 29, 2018Updated 8 years ago
- High Harmonic Generation in the Strong Field Approximation via Mathematica☆25Mar 12, 2021Updated 5 years ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago