HORTON: Helpful Open-source Research TOol for N-fermion systems
☆109Feb 11, 2025Updated last year
Alternatives and similar repositories for horton
Users that are interested in horton are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 3 years ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆29Updated this week
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆60Jul 5, 2026Updated 2 weeks ago
- ERKALE -- HF/DFT from Hel☆54Jul 17, 2026Updated last week
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆101Jul 24, 2021Updated 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.
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆90Jun 25, 2026Updated 3 weeks ago
- Python library for numerical integration, interpolation, and differentiation on (molecular) grids.☆99Jul 14, 2026Updated last week
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated 3 weeks ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆23May 3, 2024Updated 2 years ago
- Geometry optimization code that includes the TRIC coordinate system☆222Updated this week
- C++ and Python library for Polarizable Embedding☆23Apr 27, 2026Updated 2 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆170Feb 7, 2026Updated 5 months ago
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆22May 26, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.☆160May 5, 2026Updated 2 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Molecular structure optimizer☆130Updated this week
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 8 months ago
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Aug 8, 2017Updated 8 years ago
- Ab Initio Energies☆10Nov 22, 2025Updated 8 months ago
- IQmol is an open source molecular editor and visualization package☆109Dec 15, 2022Updated 3 years ago
- Yaff is yet another force-field code☆39Oct 6, 2022Updated 3 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆89Jun 8, 2024Updated 2 years ago
- 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.
- Quantum Package : a programming environment for wave function methods☆79Jun 5, 2026Updated last month
- Combining Psi4 and Numpy for education and development.☆398Jan 8, 2024Updated 2 years ago
- general GTO integrals for quantum chemistry☆249Jun 21, 2026Updated last month
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated last year
- Open Orbital Optimizer☆37Updated this week
- ☆15Oct 9, 2025Updated 9 months ago
- ☆61Mar 2, 2026Updated 4 months ago
- adcc: Seamlessly connect your program to ADC☆42Jul 9, 2026Updated 2 weeks ago
- The mainline development distribution for QWalk☆35Sep 30, 2019Updated 6 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.
- ☆50Updated this week
- Brilliantly Advanced General Electronic-structure Library☆123Mar 31, 2025Updated last year
- Parsers and algorithms for computational chemistry logfiles☆417Updated this week
- A Schema for Quantum Chemistry☆106Nov 30, 2022Updated 3 years ago
- Python module for quantum chemistry☆1,633Updated this week
- Wave-function analysis tool library☆28Mar 29, 2026Updated 3 months ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago