Resources for teaching quantum chemistry courses in Bonn
☆42Jul 20, 2026Updated this week
Alternatives and similar repositories for qc2-teaching
Users that are interested in qc2-teaching are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Syntax highlighting for Orca input files in vim☆16Aug 29, 2022Updated 3 years ago
- Collection of 'compound scripts' for use with the ORCA quantum chemistry software☆118Nov 4, 2025Updated 8 months ago
- Modular computation tool chain library☆23Updated this week
- PyTorch Autodiff DFT-D3 Implementation.☆25Updated this week
- Quantum mechanic mass spectrometry calculation program☆49Aug 1, 2025Updated 11 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- Geometrical Counter-Poise Correction☆14Nov 19, 2024Updated last year
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- Course material for an undergraduate quantum chemistry lab class☆55Aug 28, 2024Updated last year
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles☆36May 11, 2026Updated 2 months ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆53Mar 27, 2026Updated 3 months ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆228Updated this week
- Demos for the 2022 Many Electron Collaboration Workshop on PySCF☆12Jun 21, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- C++ Programming Tutorial in Chemistry☆575Dec 30, 2022Updated 3 years ago
- ☆36Apr 15, 2026Updated 3 months ago
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆14Jan 6, 2025Updated last year
- Light-weight tight-binding framework☆213Updated this week
- Main repository for the CP-PAW code☆12Jun 1, 2026Updated last month
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- ☆25Jun 9, 2026Updated last month
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Tools to facilitate input generation and analysis of FCclasses (see http://www.iccom.cnr.it/en/fcclasses)☆22Jun 19, 2026Updated last month
- 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.
- sTDA-xTB Hamiltonian for ground state☆24May 19, 2022Updated 4 years ago
- Python tools for automating routine tasks encountered when running quantum chemistry computations.☆62Jun 10, 2026Updated last month
- Efficient And Fully Differentiable Extended Tight-Binding☆135Updated this week
- Modern Fortran Linear Algebra library☆40Aug 9, 2025Updated 11 months ago
- Combining Psi4 and Numpy for education and development.☆398Jan 8, 2024Updated 2 years ago
- The files used for the introductory python for chemistry worshop☆10Sep 23, 2023Updated 2 years ago
- This is a sparse iterative parallel linear solver I developed during my PhD. The solver works by splitting the matrix into blocks which a…☆15May 20, 2022Updated 4 years ago
- A wrapper to run xtb inside Gaussian.☆29Aug 18, 2020Updated 5 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Updated this week
- 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.
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆21Updated this week
- ☆29Jun 18, 2026Updated last month
- ORCA Python Interface☆181Updated this week
- Learning Machine Learning☆14Aug 24, 2023Updated 2 years ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆55Jul 8, 2026Updated 2 weeks ago
- Short instructional Fortran codes associated with Twitter @FortranTip☆80May 11, 2025Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 4 years ago