Open Orbital Optimizer
☆35May 21, 2026Updated 3 weeks ago
Alternatives and similar repositories for OpenOrbitalOptimizer
Users that are interested in OpenOrbitalOptimizer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Dyson equation solvers for Green's function methods☆12May 11, 2026Updated last month
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Coupled-cluster package written in Python.☆50May 28, 2026Updated 3 weeks ago
- ☆16Jun 11, 2026Updated last week
- Geometrical Counter-Poise Correction☆14Nov 19, 2024Updated last year
- 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.
- Reusable DFT Grids for the Masses☆19Jun 11, 2026Updated last week
- QuAcK: a software for emerging quantum electronic structure methods☆33Jun 10, 2026Updated last week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆22Updated this week
- ☆15Feb 20, 2025Updated last year
- gammcor code☆11Mar 10, 2026Updated 3 months ago
- ☆58May 27, 2026Updated 3 weeks ago
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆21Updated this week
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- QMC=Chem version 2☆20Dec 30, 2025Updated 5 months 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.
- Donostia Natural Orbital Functional Software☆26May 18, 2026Updated last month
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Set of tools for trexio files☆20Jun 11, 2026Updated last week
- SOC integrals generator with atomic mean field approximation☆10Apr 26, 2026Updated last month
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆71Jun 12, 2026Updated last week
- Gold-Standard Chemical Database 138 (GSCDB138)☆37Mar 19, 2026Updated 3 months ago
- adcc: Seamlessly connect your program to ADC☆41Updated this week
- C++ and Python library for Polarizable Embedding☆23Apr 27, 2026Updated last month
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years 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.
- Modular computation tool chain library☆23Updated this week
- ☆19Jul 25, 2022Updated 3 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- TREX I/O library☆69Updated this week
- Benchmark data for density-functional theory method development.☆19May 22, 2026Updated 3 weeks ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 5 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆52Feb 1, 2025Updated last year
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated 2 years ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 5 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.
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated last year
- Multi-collinear functional☆10Feb 12, 2026Updated 4 months ago
- Ab Initio Energies☆10Nov 22, 2025Updated 6 months ago
- GPU-accelerated coupled cluster with density fitting☆19Jun 26, 2018Updated 7 years ago
- Quantum Monte Carlo Kernel Library☆40Jun 5, 2026Updated 2 weeks ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 6 months ago
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago