Python package to reduce the qubit requirements of quantum simulation by embedding into DFT.
☆12Sep 24, 2026Updated last month
Alternatives and similar repositories for Nbed
Users that are interested in Nbed are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A toolkit for working with fermionic systems☆27Updated this week
- An efficient Python-based framework for implementing qubit subspace methods, reducing the resource requirements for near-term quantum sim…☆49Aug 14, 2026Updated 2 months ago
- ☆12Dec 10, 2010Updated 15 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- Demos for the 2022 Many Electron Collaboration Workshop on PySCF☆12Jun 21, 2022Updated 4 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆12Jun 11, 2026Updated 4 months ago
- Code used to generate the results for the publication 'divide-and-conquer state preparation (2020)'☆13Feb 6, 2021Updated 5 years ago
- Quantum Package : a programming environment for wave function methods☆80Updated this week
- Code containing notes for the derivation of mapping a Hubbard system to a quantum computing environment and an example of time evolution …☆23Nov 8, 2021Updated 4 years ago
- Library for quantum interacting systems using DMFT☆14Sep 1, 2018Updated 8 years ago
- Solving the Travelling Salesman Problem, with applying the hard constraints using the QAutoencoder☆11May 11, 2022Updated 4 years ago
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 13 years ago
- Kohn-Sham Python-based inversion Evaluation Software☆16Dec 22, 2021Updated 4 years ago
- JAX-based differentiable Kohn-Sham Density Functional Theory implementation for training quantum(-enhanced) neural exchange-correlation f…☆23Jun 9, 2026Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An API for the Polarizable Continuum Model☆38May 31, 2023Updated 3 years ago
- A library to perform targeted free energy perturbation with normalizing flows.☆11Aug 11, 2026Updated 2 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆27Updated this week
- A generalized framework for quantum subspace sparse linear algebra☆17Updated this week
- CTF workshop deep learning tutorial and hackathon☆13Feb 16, 2023Updated 3 years ago
- Enhanced implementation of Second Quantization Algebra☆12Jun 5, 2026Updated 4 months ago
- A multi-scale computational suite for macroscopic thermodynamic phase modeling and extraction evaluation☆11May 21, 2026Updated 5 months ago
- gammcor code☆12Oct 22, 2026Updated last week
- System of polynomial equations solver with quantum annealing☆13Oct 22, 2019Updated 7 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated last year
- A toolbox for solving phase factors in Quantum signal processing.☆67Feb 8, 2026Updated 8 months ago
- Solver for Unconstrained Binary Quadratic Optimization (UBQO, BQO, QUBO) and Max 2-SAT, based on semidefinite relaxation with constraint …☆15Apr 6, 2023Updated 3 years ago
- ☆17Oct 21, 2026Updated last week
- A Python package for quantum chemistry tailored toward fragment-based embedding and quantum algorithms applied to macromolecule simulati…☆16Sep 16, 2026Updated last month
- Efficient Scientific Computing in Julia -- Workshop OIST 2019☆10Jul 19, 2019Updated 7 years ago
- Python program for aggregation and reaction☆25Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- ☆14Nov 26, 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. Zero configuration with optimized deployments.
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69May 18, 2021Updated 5 years ago
- Reinforcement Learning Benchmark☆13Sep 9, 2020Updated 6 years ago
- WESTpy code☆13Aug 29, 2026Updated 2 months ago
- Introductory Statistics☆18Feb 16, 2016Updated 10 years ago
- A Python package for wave function-based quantum embedding☆50Oct 24, 2026Updated last week
- An ultra-fast, GPU-based large graph embedding algorithm utilizing a novel coarsening algorithm requiring not more than a single GPU.☆24Jan 3, 2022Updated 4 years ago
- Basis set files for the q-vSZPs basis set and its non-adaptive variant (qavg-vSZPs) together with guidelines how to use them.☆12Jul 7, 2026Updated 3 months ago