Set of tools for trexio files
☆20Jul 1, 2026Updated 2 months ago
Alternatives and similar repositories for trexio_tools
Users that are interested in trexio_tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- AiiDA plugin for Quantum Package 2.0☆13May 29, 2024Updated 2 years ago
- QMC=Chem version 2☆20Dec 30, 2025Updated 8 months ago
- Quantum Monte Carlo Kernel Library☆41Jul 8, 2026Updated last month
- TREX I/O library☆73Updated this week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆22Updated this week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 3 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆34Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆25Updated this week
- gammcor code☆11Mar 10, 2026Updated 5 months ago
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated 2 months ago
- Repository for PseudopotentialLibrary.org website and database☆19Jun 29, 2026Updated 2 months ago
- Quantum Package : a programming environment for wave function methods☆79Aug 27, 2026Updated last week
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- Donostia Natural Orbital Functional Software☆28May 18, 2026Updated 3 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- ☆15Aug 3, 2026Updated last month
- Open Orbital Optimizer☆38Aug 26, 2026Updated last week
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- A Python package for wave function-based quantum embedding☆49Updated this week
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆22Updated this week
- Mathematica modules for electronic structure calculations☆36Aug 30, 2023Updated 3 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 6 years ago
- Numerical integration grid for molecules.☆52Aug 17, 2026Updated 3 weeks 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.
- A python application to help you place your processes and threads on the cpu cores, and to let you check the placement is correct☆16Apr 4, 2025Updated last year
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated 4 months ago
- ☆19Jul 25, 2022Updated 4 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- jQMC code implements two real-space ab initio quantum Monte Carlo (QMC) methods. Variatioinal Monte Carlo (VMC) and lattice regularized d…☆20Jul 7, 2026Updated 2 months ago
- Quantum Monte Carlo package, TurboRVB☆31Nov 25, 2025Updated 9 months ago
- ☆19Aug 9, 2026Updated 3 weeks ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- 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.
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 8 months ago
- Main repository for the CP-PAW code☆12Updated this week
- An implementation of the Three-Legged Tree Tensor Network algorithm☆15Sep 15, 2021Updated 4 years ago
- Ab initio quantum chemistry in Rust from scratch☆16Updated this week
- adcc: Seamlessly connect your program to ADC☆42Updated this week
- Multi-collinear functional☆11Feb 12, 2026Updated 6 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year