pyblock3: an efficient python block-sparse tensor library
☆30Sep 17, 2026Updated 3 weeks 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 2 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆128Oct 7, 2026Updated last 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 5 months ago
- Dyson equation solvers for Green's function methods☆12Jul 6, 2026Updated 3 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.
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 8 months ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆15May 16, 2026Updated 4 months ago
- Python bindings for TBLIS☆19Sep 14, 2026Updated last month
- A Python package for wave function-based quantum embedding☆50Oct 1, 2026Updated last week
- Coupled-cluster package written in Python.☆53May 28, 2026Updated 4 months ago
- Gauge-including magnetically induced currents.☆34Dec 7, 2023Updated 2 years ago
- ☆63Mar 2, 2026Updated 7 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 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.
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated 11 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated last year
- A library of density matrix embedding theory (DMET).☆43Jan 26, 2025Updated last year
- ☆11Mar 13, 2021Updated 5 years ago
- ☆73Jun 15, 2025Updated last year
- efficient TDDFT-ris based on MOKIT and PySCF☆21Jan 18, 2026Updated 8 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆26Oct 7, 2026Updated last week
- 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☆52Mar 31, 2026Updated 6 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Tensor Framework for Cyclic Symmetry☆18Aug 30, 2022Updated 4 years ago
- ☆55Sep 12, 2024Updated 2 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆56Updated this week
- ☆30Jul 15, 2025Updated last year
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆13Mar 27, 2026Updated 6 months ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 4 months ago
- ☆12Jun 11, 2026Updated 4 months ago
- ☆19Aug 9, 2026Updated 2 months ago
- ☆10Sep 27, 2024Updated 2 years ago
- 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.
- Symbolic manipulation of operator strings for quantum chemistry☆23Jan 10, 2023Updated 3 years ago
- ☆15Feb 20, 2025Updated last year
- **ARCHIVED — development moved to github.com/fevangelista/wickd**☆55Aug 28, 2026Updated last month
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆81Aug 24, 2026Updated last month
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆72Sep 30, 2026Updated 2 weeks ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆25Apr 6, 2024Updated 2 years ago