Resources for teaching quantum chemistry courses in Bonn
☆43Jul 20, 2026Updated 3 months ago
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☆125Nov 4, 2025Updated last year
- Modular computation tool chain library☆23Oct 20, 2026Updated 2 weeks ago
- CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles☆38Sep 23, 2026Updated last month
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 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.
- Quantum Chemistry course resources available on github and other platforms☆54Jan 31, 2024Updated 2 years ago
- Geometrical Counter-Poise Correction☆14Aug 17, 2026Updated 2 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆34Jul 10, 2022Updated 4 years ago
- ☆36Sep 24, 2026Updated last month
- General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations☆11Dec 22, 2021Updated 4 years ago
- Demos for the 2022 Many Electron Collaboration Workshop on PySCF☆12Jun 21, 2022Updated 4 years ago
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- Tools to facilitate input generation and analysis of FCclasses (see http://www.iccom.cnr.it/en/fcclasses)☆22Jun 19, 2026Updated 4 months ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆232Oct 28, 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.
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆87Updated this week
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- The Concordant Mode Approach utilizes lower level of theory normal modes to compute higher level force constants at a fraction of the cos…☆11Oct 18, 2026Updated 2 weeks ago
- Quantum mechanic mass spectrometry calculation program☆51Updated this week
- Tutorials for the PIQM-2023 Advanced School☆11Sep 29, 2026Updated last month
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- C++ Programming Tutorial in Chemistry☆591Dec 30, 2022Updated 3 years ago
- Native plotting in modern Fortran☆33Updated this week
- Flexible solvation benchmark and analysis tool for evaluating (implicit) solvation models on the large and conformationally flexible mole…☆15Apr 2, 2026Updated 7 months 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.
- Jupyter Noteboks for lecture and assignments for CHEM 1000: Mathematics for Chemistry at University of Pittsburgh☆35Apr 19, 2026Updated 6 months ago
- Monte Carlo Configuration Interaction program☆12Mar 22, 2014Updated 12 years ago
- PyTorch Autodiff DFT-D3 Implementation.☆25Updated this week
- The Devil in the Details: A Tutorial Review on Some Undervalued Aspects of Density Functional Theory Calculations☆10Sep 13, 2020Updated 6 years ago
- Course material for an undergraduate quantum chemistry lab class☆57Aug 28, 2024Updated 2 years ago
- TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…☆14Jan 6, 2025Updated last year
- Basis set optimization library for quantum chemistry☆36Jun 27, 2025Updated last year
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆54Mar 27, 2026Updated 7 months ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆36Updated this week
- 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.
- Light-weight tight-binding framework☆226Updated this week
- CmuMD implementation for PLUMED2☆24Aug 4, 2023Updated 3 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆12Sep 2, 2021Updated 5 years ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆223Updated this week
- Combining Psi4 and Numpy for education and development.☆405Jan 8, 2024Updated 2 years ago
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆37Apr 15, 2026Updated 6 months ago
- Coupled-cluster package written in Python.☆53Updated this week