A Python package for quantum chemistry tailored toward fragment-based embedding and quantum algorithms applied to macromolecule simulations.
☆15Jul 15, 2026Updated this week
Alternatives and similar repositories for quantum-fragment-methods
Users that are interested in quantum-fragment-methods are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆34Jul 3, 2026Updated 2 weeks ago
- ☆13Jul 10, 2025Updated last year
- qiskit-addon-sqd-hpc is a modern C++17/20 software library to enable large-scale sample-based quantum diagonalization (SQD) calculations …☆18Updated this week
- The finite-size scaling methods for critical phenomena☆11Sep 8, 2022Updated 3 years ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆69May 27, 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.
- BrickLink project files for GitHub LEGO sets☆29Jun 1, 2022Updated 4 years ago
- Stochastic Series Expansion (SSE) for a isotropic S=1/2 antiferromagnetic quantum Heisenberg model in 1D, 2D or 3D lattice . Every lattic…☆15Jan 23, 2021Updated 5 years ago
- User-friendly but high-performance code for simulating Variational Quantum Eigensolvers for the Heisenberg model on any lattice. It is de…☆20Nov 28, 2023Updated 2 years ago
- Want to win a hackathon? Take a read through some helpful material, centered around IBM Cloud, to take you to victory!☆11May 13, 2019Updated 7 years ago
- ☆18Apr 7, 2026Updated 3 months ago
- Charge equilibration method for crystal structures☆17Dec 16, 2022Updated 3 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 3 years ago
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago
- General purpose stochastic series expansion quantum Monte Carlo code.☆27Dec 5, 2025Updated 7 months 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.
- Create a Raspberry Pi Zero based LoRaWAN sensor with Python.☆18Jun 19, 2024Updated 2 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- A list of Call for Code patterns broken down by industry and technology☆20Jul 6, 2019Updated 7 years ago
- JAX-based differentiable Kohn-Sham Density Functional Theory implementation for training quantum(-enhanced) neural exchange-correlation f…☆22Jun 9, 2026Updated last month
- ☆10Dec 22, 2016Updated 9 years ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆19Mar 27, 2025Updated last year
- qiskit-c-api-demo is a C++17/MPI implementation for HPC environments, enabling scalable hybrid quantum–classical workflows.☆38Jun 22, 2026Updated 3 weeks ago
- ☆10Dec 24, 2016Updated 9 years ago
- Frequency-Aware Synthesis Toolbox for Superconducting Quantum Computers☆13Mar 15, 2022Updated 4 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.
- Python interface for the zeo++ package☆18Jun 25, 2026Updated 3 weeks ago
- Meta's UMA and Orbital Materials' Orb-v3/OrbMol interatomic potential models, running on Tenstorrent hardware.☆24Updated this week
- Worm Algorithm for Bose-Hubbard and XXZ models☆32Jun 18, 2026Updated last month
- Slash commands for MATLAB development workflows across multiple AI coding agents. Provides documentation generation, testing, optimizatio…☆15Mar 25, 2026Updated 3 months ago
- Gradual conversion to python☆25Sep 24, 2019Updated 6 years ago
- [ICLR2025] Frechet Wavelet Distance: A metric to detect domain bias in Generative models.☆18Sep 2, 2025Updated 10 months ago
- Object-oriented microkinetic modeling package using ASE☆21May 27, 2023Updated 3 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆30May 8, 2025Updated last year
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Dec 11, 2023Updated 2 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.
- Quantum Monte Carlo package, TurboRVB☆31Nov 25, 2025Updated 7 months ago
- Reduce circuit depth by compressing initial layers via approximate quantum compilation with tensor networks (AQC-Tensor)☆30Updated this week
- MATLAB toolbox skills for Claude — verified against R2025b for medical imaging, image processing, deep learning, machine-learning&statis…☆15Mar 22, 2026Updated 4 months ago
- A curated list of resources, tools, and guides for mastering sales engineering and excelling in pre-sales roles☆16Apr 22, 2025Updated last year
- Fable-inspired verification-first workflow skill for Codex☆27Jun 15, 2026Updated last month
- ☆28Sep 4, 2024Updated last year
- The amazing wavelet scattering transform☆16Nov 19, 2024Updated last year