Resources for teaching quantum chemistry courses in Bonn
☆43Jul 20, 2026Updated last month
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 4 years ago
- Collection of 'compound scripts' for use with the ORCA quantum chemistry software☆123Nov 4, 2025Updated 10 months ago
- Modular computation tool chain library☆23Aug 28, 2026Updated last week
- PyTorch Autodiff DFT-D3 Implementation.☆25Updated this week
- Quantum mechanic mass spectrometry calculation program☆51Aug 1, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- Geometrical Counter-Poise Correction☆14Aug 17, 2026Updated 2 weeks ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- Course material for an undergraduate quantum chemistry lab class☆57Aug 28, 2024Updated 2 years ago
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles☆36Aug 7, 2026Updated 3 weeks ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆53Mar 27, 2026Updated 5 months ago
- Demos for the 2022 Many Electron Collaboration Workshop on PySCF☆12Jun 21, 2022Updated 4 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆228Aug 24, 2026Updated last week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- C++ Programming Tutorial in Chemistry☆582Dec 30, 2022Updated 3 years ago
- ☆36Apr 15, 2026Updated 4 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☆220Updated this week
- Main repository for the CP-PAW code☆12Aug 16, 2026Updated 2 weeks ago
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- ☆26Jun 9, 2026Updated 2 months ago
- 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 2 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- sTDA-xTB Hamiltonian for ground state☆24Aug 11, 2026Updated 3 weeks ago
- Python tools for automating routine tasks encountered when running quantum chemistry computations.☆62Jun 10, 2026Updated 2 months ago
- Efficient And Fully Differentiable Extended Tight-Binding☆142Updated this week
- Modern Fortran Linear Algebra library☆40Aug 9, 2025Updated last year
- Combining Psi4 and Numpy for education and development.☆399Jan 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.☆30Aug 18, 2020Updated 6 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Jul 30, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆30Aug 27, 2026Updated last week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆21Aug 17, 2026Updated 2 weeks ago
- ORCA Python Interface☆190Updated this week
- Learning Machine Learning☆14Aug 24, 2023Updated 3 years ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆59Updated this week
- Short instructional Fortran codes associated with Twitter @FortranTip☆80May 11, 2025Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆33Jul 10, 2022Updated 4 years ago