74 dependents
| Package | Description | Downloads/month |
|---|---|---|
| Faster simulation of fermionic quantum circuits. | 24K | |
| DFTD3 and DFTD4 interfaces | 11K | |
| Classically postprocess noisy quantum samples to yield more accurate energy esti... | 10K | |
| GPU extensions for PySCF | 6K | |
| Collection of Python tools for quantum many-body simulation using Green Software... | 4K | |
| Ewald Correction generation | 3K | |
| Accelerated libraries for quantum-classical computing built on CUDA-Q. | 3K | |
| Production Quantum Computing for Drug Discovery - FMO-VQE, DC-QAOA, Adaptive QEC... | 3K | |
| GPU extensions for PySCF | 2K | |
| Deprecated: PennyLane-Qchem has been deprecated | 2K | |
| Quantum computing research package | 2K | |
| A formal validation toolkit calculating Many-Body Dispersion bounds connecting g... | 2K | |
| PySCF with auto-differentiation | 2K | |
| Skala exchange-correlation functional | 2K | |
| A plugin to use PySCF with QURI Parts | 1K | |
| Accelerated libraries for quantum-classical computing built on CUDA-Q. | 1K | |
| QXMT is a experiment management tool for quantum computing and quantum machine l... | 1K | |
| Interface to and port of fragments of GAMMCOR code developed by Pernal group at ... | 1K | |
| Coupled cluster calculations on electron-boson systems | 1K | |
| Multifunctional geometry optimization tools for quantum chemical calculations. | 986 | |
| Real-space quantum Monte Carlo (QMC) methods for electronic structure calculatio... | 893 | |
| Many-body analysis on top of Quantum ESPRESSO calculations | 769 | |
| AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF). | 694 | |
| GPU extensions for PySCF | 694 | |
| MNT Bench - An MNT tool for Benchmarking FCN circuits | 667 | |
| Framework for running, monitoring and analysing quantum algorithms. | 653 | |
| Deep learning quantum Monte Carlo for electrons in real space | 579 | |
| Easy access to our research code | 577 | |
| Qibochem is a plugin to Qibo for quantum chemistry simulations. | 564 | |
| A General Quantum Software | 554 | |
| Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecula... | 497 | |
| Qiskit Nature PySCF: Third-party integration plugin of Qiskit Nature + PySCF. | 490 | |
| Electrostatic Map Suite - A Comprehensive Set of Calculators for Qualifying and ... | 484 | |
| Spin-projected Unrestricted Hartree-Fock program | 442 | |
| A sample project that exists for PyPUG's "Tutorial on Packaging and Distributing... | 440 | |
| Projection-based embedding methods for reducing quantum simulation resource requ... | 437 | |
| Coupled-cluster package written in Python. | 421 | |
| PySCF VQE plugin for the Maestro quantum simulator — works on CPU, upgrade to GP... | 371 | |
| Quantum Phase Estimation simulation with tensor networks | 365 | |
| Orbital alignment analysis for plane wave basis sets | 356 | |
| Quantum Many-body Problem Kit | 341 | |
| SIDEREUS module for PySCF - Enhanced quantum chemistry calculations | 318 | |
| A repo to calculate the electronic structures of electrolyte molecules. | 313 | |
| A JAX based framework to calculate deep-learning VMC solutions to the Schrödinge... | 307 | |
| 276 | ||
| A package to calculate the moments and polarizabilities of molecules | 272 | |
| Program aimed at the calculation of population analysis and aromaticity indicato... | 248 | |
| APDFT calculates quantumchemical results for many molecules at once. | 231 | |
| A Tensor Network library focused on optimization. | 231 | |
| Document and code of python and PySCF approach XYG3 type of density functional 2... | 221 |
