Open Orbital Optimizer
☆35Jun 29, 2026Updated last week
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 last month
- ☆17Jun 20, 2026Updated 2 weeks ago
- Geometrical Counter-Poise Correction☆14Nov 19, 2024Updated 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.
- Reusable DFT Grids for the Masses☆19Jun 11, 2026Updated 3 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆34Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆23Jun 30, 2026Updated last week
- ☆15Feb 20, 2025Updated last year
- gammcor code☆11Mar 10, 2026Updated 3 months ago
- ☆59Jun 27, 2026Updated last week
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆22Jul 1, 2026Updated last week
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years ago
- QMC=Chem version 2☆20Dec 30, 2025Updated 6 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Donostia Natural Orbital Functional Software☆26May 18, 2026Updated last month
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 3 years ago
- Set of tools for trexio files☆20Jul 1, 2026Updated last week
- SOC integrals generator with atomic mean field approximation☆10Apr 26, 2026Updated 2 months ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆71Updated this week
- Gold-Standard Chemical Database 138 (GSCDB138)☆39Mar 19, 2026Updated 3 months ago
- adcc: Seamlessly connect your program to ADC☆41Jun 26, 2026Updated last week
- C++ and Python library for Polarizable Embedding☆23Apr 27, 2026Updated 2 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Modular computation tool chain library☆23Jun 15, 2026Updated 3 weeks ago
- ☆19Jul 25, 2022Updated 3 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- TREX I/O library☆70Jun 26, 2026Updated last week
- Benchmark data for density-functional theory method development.☆19May 22, 2026Updated last month
- 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 22, 2026Updated 2 weeks ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 5 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- Multi-collinear functional☆10Feb 12, 2026Updated 4 months ago
- Ab Initio Energies☆10Nov 22, 2025Updated 7 months ago
- GPU-accelerated coupled cluster with density fitting☆19Jun 26, 2018Updated 8 years ago
- Quantum Monte Carlo Kernel Library☆40Jun 5, 2026Updated last month
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 6 months ago