☆12Dec 10, 2010Updated 15 years ago
Alternatives and similar repositories for pyquante
Users that are interested in pyquante are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python package to reduce the qubit requirements of quantum simulation by embedding into DFT.☆12Sep 24, 2026Updated last month
- Julia utilities for reading in and analyzing Gromacs simulation results☆19Oct 3, 2020Updated 6 years ago
- Exact diagonalization of Fermi-Hubbard and spin models on a lattice☆11Apr 17, 2024Updated 2 years ago
- Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.☆12Jul 31, 2017Updated 9 years ago
- 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
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Julia toolbox for molecular simulations☆23Jan 18, 2017Updated 9 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- Scripts and instructions for deploying ORCA quantum chemistry program on Linux.☆18Jan 14, 2026Updated 9 months ago
- The new generation molecular viewer for IPython notebook☆82Apr 29, 2020Updated 6 years ago
- System of polynomial equations solver with quantum annealing☆13Oct 22, 2019Updated 7 years ago
- Android Chinese chess,updating...☆10Oct 19, 2016Updated 10 years ago
- Go / Baduk library with SGF / GIB / NGF / UGF support, game editor, and GTP relay in Tkinter☆10Jun 16, 2021Updated 5 years ago
- Demos for the 2022 Many Electron Collaboration Workshop on PySCF☆12Jun 21, 2022Updated 4 years 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
- 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.
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 9 years ago
- Enable chemical informatics functionality in MS Excel spreadsheets☆19Oct 19, 2023Updated 3 years ago
- Backing up data from api.tidesandcurrents.noaa.gov☆10Mar 1, 2025Updated last year
- ☆14Nov 26, 2022Updated 3 years ago
- Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.☆160May 5, 2026Updated 6 months ago
- ☆19Aug 10, 2023Updated 3 years ago
- Python interface for Q-Chem☆24Updated this week
- sketching algorithms implemented in chapel and python☆10Jun 8, 2017Updated 9 years ago
- Small Rust library for handling multi-dimensional data☆13Feb 9, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆20Jul 1, 2024Updated 2 years ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆90Jun 8, 2024Updated 2 years ago
- Angular triplet center loss implementation in Pytorch.☆13Mar 10, 2021Updated 5 years ago
- Introductory Statistics☆18Feb 16, 2016Updated 10 years ago
- A tool for visualizing tensor network contractions.☆20Dec 6, 2021Updated 4 years ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆110Feb 11, 2025Updated last year
- Deep Learning Scaling tutorial material for the Deep Learning for Science School at Berkeley Lab☆10Jul 19, 2019Updated 7 years ago
- Jupyterlab extension containing a UI for debugging☆10Dec 2, 2019Updated 6 years ago
- functional go tool (GoConnector, Analysis, Play)☆14Dec 16, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆25Jun 24, 2019Updated 7 years ago
- cgroups for terminals☆13Sep 3, 2024Updated 2 years ago
- openFrameworks addon that performs automatic 2d rectification of images. It’s based on work done in “Shape from Angle Regularity” by Zahe…☆22May 15, 2014Updated 12 years ago
- Deferring loading of JS files until after React loads☆10Dec 4, 2022Updated 3 years ago
- Nuclear many-body course for 2018☆20Aug 5, 2022Updated 4 years ago
- Adds citations count to documents in your Mendeley library.☆17Feb 22, 2019Updated 7 years ago
- Command line script to create an SGF file from an image for Go/Baduk/Weiqi☆18Apr 3, 2013Updated 13 years ago