cp2k test
☆10May 26, 2019Updated 7 years ago
Alternatives and similar repositories for cp2k
Users that are interested in cp2k are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 4 months ago
- ☆12Dec 10, 2010Updated 15 years ago
- Interatomic potential creating using DFT training data.☆28Oct 20, 2019Updated 6 years ago
- pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an…☆13Jul 3, 2026Updated last month
- Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.☆12Jul 31, 2017Updated 9 years ago
- 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.
- A TCL code for the calculation of mass/number density of a system.☆19Jun 21, 2024Updated 2 years ago
- Scripts and instructions for deploying ORCA quantum chemistry program on Linux.☆17Jan 14, 2026Updated 7 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated last year
- Python Cp2k interface☆105Jun 7, 2022Updated 4 years ago
- Open source graphical interface to various DFT/Quantum chemistry codes☆18Dec 8, 2022Updated 3 years ago
- ☆18Sep 16, 2024Updated last year
- Generator of SMILES string from bigSMILES with extension☆36May 15, 2025Updated last year
- METAR reports are meteorogical weather reports for aviation. Metar is a small program which downloads weather reports for user-specified …☆13Sep 11, 2019Updated 6 years ago
- Enable chemical informatics functionality in MS Excel spreadsheets☆19Oct 19, 2023Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆19Aug 10, 2023Updated 3 years ago
- ☆18Aug 8, 2023Updated 3 years ago
- wox的有道翻译插件☆32Dec 19, 2017Updated 8 years ago
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 9 years ago
- Map atomistic trajectories to CG Martini level fast and compute interactions☆17Jun 1, 2026Updated 2 months ago
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆20Jul 1, 2024Updated 2 years ago
- Find hot data sets in your area (of research)!☆16Dec 20, 2018Updated 7 years ago
- Homebrew tap for formulae to build ARB (http://www.arb-home.de) and related software.☆14Jul 1, 2026Updated last month
- Creating machine learning algorithms from scratch☆19Apr 15, 2025Updated last year
- 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.
- ☆16Jul 8, 2024Updated 2 years ago
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated last year
- Georeference images from Google Earth in QGIS 3, then clip them so they aren't shaped all weird.☆14Feb 6, 2019Updated 7 years ago
- 📂 Convert a directory of Markdown files to HTML☆24Apr 16, 2020Updated 6 years ago
- ADCS simulations for the AcubeSAT nanosatellite☆16Oct 6, 2025Updated 10 months ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on☆24Jun 17, 2024Updated 2 years ago
- ☆25Jun 24, 2019Updated 7 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- 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.
- Schematics and diagrams that explain Artificial Intelligence☆14Dec 28, 2020Updated 5 years ago
- This repository contains different code examples.☆10Aug 24, 2025Updated 11 months ago
- AmBeta's GitHub Pages☆11Jul 21, 2022Updated 4 years ago
- Python tools to handle CP2K output files☆53Updated this week
- ☆10Mar 31, 2023Updated 3 years ago
- Fast estimation of ion-pairing for screening electrolytes☆11Aug 23, 2022Updated 3 years ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆14Jul 14, 2021Updated 5 years ago