☆61Oct 22, 2026Updated last week
Alternatives and similar repositories for libra-code
Users that are interested in libra-code are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆38Jan 31, 2024Updated 2 years ago
- Tutorials showcasing various capabilities of Libra☆29Sep 5, 2026Updated last month
- The main branch of the Pyxaid code☆12May 12, 2017Updated 9 years ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆79May 23, 2025Updated last year
- ☆14Jan 29, 2018Updated 8 years 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.
- ☆25Mar 12, 2026Updated 7 months ago
- This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…☆16May 26, 2026Updated 5 months ago
- ASE density-functional tight-binding calculator☆69Jan 23, 2025Updated last year
- A Matlab implementation of the Hierarchical Equations of Motion (HEOM) method for modelling open system quantum dynamics.☆11Jun 4, 2025Updated last year
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Feb 13, 2020Updated 6 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆42Updated this week
- ☆10Dec 27, 2018Updated 7 years ago
- TD-DMRG and VHCI package☆12Jul 24, 2025Updated last year
- ab-initio nonadiabatic molecular dynamics program☆129May 21, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆50May 31, 2024Updated 2 years ago
- Take electron-phonon interaction as non-adiabatic coupling to do non-adiabatic molecular dynamics simulation.☆11Jun 27, 2024Updated 2 years ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆27Jan 4, 2026Updated 9 months ago
- Python quantum chemistry (experimental and test routines)☆12May 21, 2021Updated 5 years ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆21Jun 1, 2021Updated 5 years ago
- An Open Source Toolbox for Open and Closed System Quantum Dynamics Simulations Using Tree Tensor Networks☆12Aug 14, 2026Updated 2 months ago
- Tight Binding Machine Learning Toolkit☆47Dec 2, 2025Updated 10 months ago
- Fast, hackable molecular integrals☆14Jan 20, 2026Updated 9 months ago
- This is a python module that solves one-dimensional potentials using a discrete variable representation method.☆12Jul 25, 2022Updated 4 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆71Oct 15, 2026Updated 2 weeks ago
- The Concordant Mode Approach utilizes lower level of theory normal modes to compute higher level force constants at a fraction of the cos…☆11Oct 18, 2026Updated last week
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆16Jul 20, 2026Updated 3 months ago
- Multipurpose ab initio MD program.☆15Sep 3, 2026Updated last month
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 3 years ago
- A package for quantum-classical modeling.☆16Updated this week
- Scripts for using pymol together with quantum chemistry programs☆18May 26, 2026Updated 5 months ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆31Feb 6, 2025Updated last year
- a python package for reduced density matrix techniques☆17Sep 4, 2020Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- KPROJ: A Band Unfolding Program☆50Feb 6, 2025Updated last year
- DM-HEOM: Distributed Memory Hierarchical Equations of Motion☆10Jul 16, 2019Updated 7 years ago
- MPSQD is a Python package based on matrix product states (MPS) to simulate both the time-dependent Schrodinger equation (TDSE) and the h…☆16Nov 14, 2024Updated last year
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jun 11, 2026Updated 4 months ago
- ☆63Jul 10, 2025Updated last year
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆16May 2, 2026Updated 5 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆58Updated this week