Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory.
☆21Jun 7, 2026Updated this week
Alternatives and similar repositories for Fanpy
Users that are interested in Fanpy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PyMES is a package for developing new methods in quantum chemistry.☆14May 8, 2026Updated last month
- Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways☆13Apr 23, 2025Updated last year
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 5 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆22Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆62Nov 12, 2025Updated 6 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆33May 25, 2026Updated 2 weeks ago
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆121Updated this week
- Coupled-cluster package written in Python.☆50May 28, 2026Updated 2 weeks ago
- Open Orbital Optimizer☆35May 21, 2026Updated 3 weeks ago
- ☆14Feb 20, 2025Updated last year
- public version of our general contraction code project☆11Jan 26, 2026Updated 4 months ago
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated last month
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 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.
- Dyson equation solvers for Green's function methods☆12May 11, 2026Updated last month
- protein structure prediction with precision☆28May 14, 2024Updated 2 years ago
- Codes for learning how to numerically simulate quantum and classical mechanics☆17Apr 2, 2025Updated last year
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆21Jun 1, 2026Updated last week
- ☆43Mar 18, 2022Updated 4 years ago
- adcc: Seamlessly connect your program to ADC☆40Updated this week
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆27May 4, 2026Updated last month
- ☆61Mar 2, 2026Updated 3 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A Wick theorem kernel written in C++ and interfaced with Python☆52Feb 1, 2025Updated last year
- ☆58May 27, 2026Updated 2 weeks ago
- I can't believe it's NonAbelian!☆33May 26, 2026Updated 2 weeks ago
- Discord bot created by ColorStack at UW-Madison to track and post internship opportunities within your Discord server☆10Apr 21, 2026Updated last month
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Quantum Package : a programming environment for wave function methods☆79Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆22Jan 10, 2023Updated 3 years ago
- Add-on package to ITensors.jl for chemistry.☆24Oct 28, 2024Updated last year
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆69May 27, 2026Updated 2 weeks 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.
- GAMESS wrapper for Python☆49Nov 14, 2025Updated 6 months ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 5 months ago
- gammcor code☆11Mar 10, 2026Updated 3 months ago
- MRH's research code☆27Jun 1, 2026Updated last week
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- Machine learning for molecular dynamics☆13Jan 9, 2025Updated last year
- MDANCE: Hyper-efficient tools to process molecular dynamics simulations.☆145May 8, 2026Updated last month