☆11Jun 26, 2022Updated 3 years ago
Alternatives and similar repositories for an_introductory_tutorial_of_quantum_chemistry
Users that are interested in an_introductory_tutorial_of_quantum_chemistry are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆19Oct 5, 2019Updated 6 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- ☆19Jul 25, 2022Updated 3 years ago
- A ready-to-use energy diagram drawing program☆12Nov 23, 2023Updated 2 years ago
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- 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.
- 一个完整的subgraph集成dapp的案例,包括合约,脚本,搭建graphnode,与前端集成☆15Oct 8, 2022Updated 3 years ago
- The JS(TS) SDK for XuperChain☆14Mar 13, 2024Updated 2 years ago
- Syntax highlighting for Orca input files in vim☆15Aug 29, 2022Updated 3 years ago
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆19Nov 24, 2025Updated 4 months ago
- Projected time-dependent Variational Monte Carlo (p-tVMC) method based on infidelity optimization for variational simulation of quantum d…☆18Oct 17, 2024Updated last year
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 6 years ago
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆26Jun 2, 2022Updated 3 years ago
- The repository contains Jupyter notebooks for hands-on tutorials organized within the Summer School: Machine Learning for Quantum Physics…☆44Jun 11, 2025Updated 9 months ago
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- 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.
- Automated tools for submitting molecules to QCFractal☆27Feb 23, 2026Updated last month
- A Variational Quantum Linear Solver Prototype for Qiskit☆20Nov 27, 2024Updated last year
- Presentation at KCS 2023, "Quantum Denoising Diffusion Probabilistic Models for Image Generation"☆17Mar 15, 2025Updated last year
- Godot MMD Plugin with .NET☆35Feb 18, 2026Updated last month
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated 11 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 5 months ago
- Solutions for Modern Quantum Chemistry, Szabo & Ostlund☆100Feb 16, 2025Updated last year
- Implementation of AlphaZero for playing Dots and Boxes [Python/PyTorch].☆16Oct 24, 2023Updated 2 years ago
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated 6 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- This patch will make dwm run "~/.dwm/autostart_blocking.sh" and "~/.dwm/autostart.sh &" before entering the handler loop.☆11Oct 2, 2012Updated 13 years ago
- Repository for development of end-to-end quantum enhanced Markov Chain Monte Carlo implementation☆20Sep 25, 2024Updated last year
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- A simple cube file viewer based on pythreejs☆25Sep 4, 2023Updated 2 years ago
- How to get started with computational chemistry research. Directed to new people in our lab, may be useful in general.☆26Jun 4, 2018Updated 7 years ago
- ADAPT-VQE simulation code☆26Oct 9, 2024Updated last year
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆37Mar 12, 2026Updated 2 weeks ago
- 📝 Easily convert Digital Object Identifier (DOI) and Uniform Resource Locator (URL) to BibTeX and DOI to plain text.☆38Apr 28, 2023Updated 2 years ago
- Main repository for the CP-PAW code☆12Mar 19, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆11Mar 13, 2021Updated 5 years ago
- Composable numerical solvers for unconstrained and simple-bounds constrained convex optimization problems in Rust. WASM compatible☆14Jul 10, 2025Updated 8 months ago
- 服务群众:给群众搭建一个南大开源镜像站的帮助文档网站。☆20Dec 29, 2021Updated 4 years ago
- MPI parallelization for PySCF☆34Nov 1, 2024Updated last year
- ☆12Jul 22, 2025Updated 8 months ago
- Molecular Set Representation Learning☆51Jul 16, 2025Updated 8 months ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago