pyblock3: an efficient python block-sparse tensor library
☆30Mar 18, 2026Updated 4 months ago
Alternatives and similar repositories for pyblock3-preview
Users that are interested in pyblock3-preview are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- Efficient parallel quantum chemistry DMRG in MPO formalism☆124Updated this week
- Software package to handle the many-fermionic operator☆16Jul 30, 2013Updated 13 years ago
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 3 months ago
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated last month
- 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.
- Python bindings for TBLIS☆19Mar 9, 2026Updated 5 months ago
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 6 months ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14May 16, 2026Updated 2 months ago
- A Python package for wave function-based quantum embedding☆48Aug 8, 2026Updated last week
- Coupled-cluster package written in Python.☆51May 28, 2026Updated 2 months ago
- Gauge-including magnetically induced currents.☆33Dec 7, 2023Updated 2 years ago
- ☆62Mar 2, 2026Updated 5 months ago
- ☆19Jul 25, 2022Updated 4 years ago
- An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of re…☆29Jun 4, 2026Updated 2 months 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 library of density matrix embedding theory (DMET).☆43Jan 26, 2025Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 9 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆25Updated this week
- ☆11Mar 13, 2021Updated 5 years ago
- ☆70Jun 15, 2025Updated last year
- efficient TDDFT-ris based on MOKIT and PySCF☆21Jan 18, 2026Updated 6 months ago
- Generate MPO automatically based on finite state automata☆23Jul 7, 2021Updated 5 years ago
- QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry☆51Mar 31, 2026Updated 4 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.
- Tensor Framework for Cyclic Symmetry☆18Aug 30, 2022Updated 3 years ago
- ☆55Sep 12, 2024Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆53Updated this week
- ☆30Jul 15, 2025Updated last year
- Donostia Natural Orbital Functional Software☆27May 18, 2026Updated 2 months ago
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆13Mar 27, 2026Updated 4 months ago
- ☆11Jun 11, 2026Updated 2 months ago
- ☆10Sep 27, 2024Updated last year
- ☆19Updated this week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- ☆15Feb 20, 2025Updated last year
- gammcor code☆11Mar 10, 2026Updated 5 months ago
- A Wick theorem kernel written in C++ and interfaced with Python☆53Feb 1, 2025Updated last year
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆79Jul 31, 2026Updated 2 weeks ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆72Jul 31, 2026Updated 2 weeks ago