HORTON: Helpful Open-source Research TOol for N-fermion systems
☆101Feb 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:
- Python library for numerical integration, interpolation, and differentiation on (molecular) grids.☆91Apr 30, 2026Updated 3 weeks ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆23Updated this week
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆54May 23, 2024Updated 2 years ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆83Mar 16, 2026Updated 2 months ago
- Python library for optimizing molecular structures and determining chemical reaction pathways.☆19May 3, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆101Jul 24, 2021Updated 4 years ago
- ERKALE -- HF/DFT from Hel☆54May 13, 2026Updated last week
- Spin-projected Unrestricted Hartree-Fock program☆10Apr 4, 2026Updated last month
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Geometry optimization code that includes the TRIC coordinate system☆211Updated this week
- 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.☆163Feb 7, 2026Updated 3 months ago
- C++ and Python library for Polarizable Embedding☆23Apr 27, 2026Updated 3 weeks ago
- Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.☆159May 5, 2026Updated 2 weeks 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.
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Molecular structure optimizer☆130Updated this week
- Yaff is yet another force-field code☆38Oct 6, 2022Updated 3 years ago
- Ab Initio Energies☆10Nov 22, 2025Updated 6 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
- IQmol is an open source molecular editor and visualization package☆108Dec 15, 2022Updated 3 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆89Jun 8, 2024Updated last year
- Quantum Package : a programming environment for wave function methods☆79May 6, 2026Updated 2 weeks ago
- Combining Psi4 and Numpy for education and development.☆392Jan 8, 2024Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated 10 months ago
- general GTO integrals for quantum chemistry☆245Nov 16, 2025Updated 6 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆25Nov 7, 2025Updated 6 months ago
- ☆15Oct 9, 2025Updated 7 months ago
- Brilliantly Advanced General Electronic-structure Library☆121Mar 31, 2025Updated last year
- The mainline development distribution for QWalk☆35Sep 30, 2019Updated 6 years ago
- ☆49Updated this week
- ☆60Mar 2, 2026Updated 2 months ago
- A Schema for Quantum Chemistry☆106Nov 30, 2022Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Parsers and algorithms for computational chemistry logfiles☆406Updated this week
- adcc: Seamlessly connect your program to ADC☆40May 13, 2026Updated last week
- Python module for quantum chemistry☆1,579May 14, 2026Updated last week
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated last year
- Exploring the computational complexity of fermionic quantum systems. Electronic-structure computation and basis-set modeling.☆37Feb 3, 2026Updated 3 months ago
- MPI parallelization for PySCF☆35Nov 1, 2024Updated last year