☆13Feb 20, 2025Updated last year
Alternatives and similar repositories for Quantum-Chemistry-Foundations
Users that are interested in Quantum-Chemistry-Foundations 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 implementation of electronic structure theories for simulating spectroscopic properties☆21Mar 23, 2026Updated last week
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- ☆60Mar 2, 2026Updated 3 weeks ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 8 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 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 and start building anything your business needs.
- ☆55Sep 12, 2024Updated last year
- Donostia Natural Orbital Functional Software☆24Mar 3, 2026Updated 3 weeks ago
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆49Feb 1, 2025Updated last year
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Open Orbital Optimizer☆34Jan 25, 2026Updated 2 months ago
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated last month
- gammcor code☆11Mar 10, 2026Updated 2 weeks ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 4 years ago
- MolSSI Integral Reference Project☆29Feb 27, 2021Updated 5 years ago
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆21Mar 12, 2026Updated 2 weeks ago
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆58Feb 6, 2026Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 5 months ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆70Mar 18, 2026Updated last week
- public version of our general contraction code project☆11Jan 26, 2026Updated 2 months ago
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Davidson eigensolver implemented in Fortran☆17Feb 12, 2020Updated 6 years ago
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆15Mar 10, 2026Updated 2 weeks ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Aug 22, 2023Updated 2 years ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Jan 10, 2023Updated 3 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 3 months ago
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Dec 11, 2023Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆11Aug 27, 2024Updated last year
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆58Jan 10, 2026Updated 2 months ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆55Feb 4, 2026Updated last month
- I can't believe it's NonAbelian!☆33Jan 5, 2026Updated 2 months ago
- adcc: Seamlessly connect your program to ADC☆39Mar 20, 2026Updated last week