Neural-Network Quantum States for Quantum Chemistry
☆19Jun 11, 2026Updated 3 months ago
Alternatives and similar repositories for PyNQS
Users that are interested in PyNQS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆48Oct 5, 2024Updated 2 years ago
- Quantum Chemistry Course @ BNU2021☆23Sep 22, 2022Updated 4 years ago
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 8 months ago
- QUESTDB: A Database of Highly-Accurate Excitation Energies☆30Jul 30, 2026Updated 2 months ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆81Aug 24, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆41Updated this week
- ☆30Jul 15, 2025Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆16Jul 11, 2018Updated 8 years ago
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆20Nov 24, 2025Updated 10 months ago
- TD-DMRG and VHCI package☆12Jul 24, 2025Updated last year
- **ARCHIVED — development moved to github.com/fevangelista/wickd**☆55Aug 28, 2026Updated last month
- ☆20Sep 5, 2026Updated last month
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 4 years ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆14Oct 7, 2019Updated 7 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Repo for paper: stochastic tensor contraction for quantum chemistry☆26Jul 21, 2026Updated 2 months ago
- ☆19Aug 9, 2026Updated 2 months ago
- Official implementation of "Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations"☆15Jul 29, 2026Updated 2 months ago
- ADAPT-VQE simulation code☆27Oct 9, 2024Updated 2 years ago
- Quantum computational chemistry based on TensorCircuit☆74Jul 7, 2025Updated last year
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Reference implementation of GW☆13Jul 22, 2019Updated 7 years ago
- Quantum dynamics package based on tensor network states☆77May 20, 2026Updated 4 months ago
- JAX accelerated Quantum Monte Carlo☆124Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆24Updated this week
- WEST code☆36Aug 29, 2026Updated last month
- 收集了一些计算化学相关的推荐资料。☆35Dec 31, 2024Updated last year
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated 3 months ago
- ☆12Jun 26, 2022Updated 4 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆34Sep 30, 2026Updated last week
- Main repository for the CP-PAW code☆13Sep 30, 2026Updated last week
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years 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.
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆56Sep 30, 2026Updated last week
- ☆13Oct 16, 2024Updated last year
- ☆13May 28, 2022Updated 4 years ago
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- ☆10Sep 27, 2024Updated 2 years ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆21Updated this week
- I can't believe it's NonAbelian!☆33Sep 10, 2026Updated last month