Python implementation of electronic structure theories for simulating spectroscopic properties
☆21Apr 14, 2026Updated last week
Alternatives and similar repositories for prism
Users that are interested in prism are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Feb 20, 2025Updated last year
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 9 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Donostia Natural Orbital Functional Software☆24Apr 13, 2026Updated last week
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Set of tools for trexio files☆19Updated this week
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 4 months ago
- gammcor code☆11Mar 10, 2026Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 5 months ago
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last month
- ☆14Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆32Updated this week
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆21Updated this week
- 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.
- ☆60Mar 2, 2026Updated last month
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Numerical integration grid for molecules.☆50Apr 14, 2026Updated last week
- ☆11Aug 27, 2024Updated last year
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆21Updated this week
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 12 years ago
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated 2 months ago
- A Wick theorem kernel written in C++ and interfaced with Python☆51Feb 1, 2025Updated last year
- 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.
- Open Orbital Optimizer☆34Jan 25, 2026Updated 2 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- adcc: Seamlessly connect your program to ADC☆39Apr 13, 2026Updated last week
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆70Mar 18, 2026Updated last month
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Jul 12, 2020Updated 5 years ago
- A Python package for wave function-based quantum embedding☆40Apr 7, 2026Updated last week
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆15Mar 10, 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. Zero configuration with optimized deployments.
- ☆19Jul 25, 2022Updated 3 years ago
- A symbolic algebra system for tensorial and noncommutative algebras☆29Apr 1, 2026Updated 2 weeks ago
- Reference implementation of GW☆13Jul 22, 2019Updated 6 years ago
- ☆11Mar 13, 2021Updated 5 years ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆50Mar 27, 2026Updated 3 weeks ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago