CP2K binaries for 32/64 bit Windows
☆31Jan 12, 2026Updated 4 months ago
Alternatives and similar repositories for CP2K_for_Windows
Users that are interested in CP2K_for_Windows are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Multipurpose ab initio MD program.☆12May 30, 2026Updated last week
- An ASE interface to Amesp☆13Oct 8, 2023Updated 2 years ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 2 months ago
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆13Mar 3, 2010Updated 16 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 7 years 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.
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Apr 27, 2019Updated 7 years ago
- Amateurish molecular electronic structure program.(for linux)☆25Nov 1, 2016Updated 9 years ago
- NAMD-xtb-QMMM-interface☆12Jul 21, 2020Updated 5 years ago
- Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp.☆28Apr 2, 2026Updated 2 months ago
- Bondorder and formal charge determination for molecules☆10Jan 16, 2022Updated 4 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 6 years ago
- Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html☆13Nov 30, 2025Updated 6 months ago
- Python tools to handle CP2K output files☆50Jun 1, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Gromacs molecular dynamics simulation analysis scripts☆10Apr 5, 2022Updated 4 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆59Jul 15, 2019Updated 6 years ago
- Repo hosting the MetFrag website☆11Apr 6, 2026Updated 2 months ago
- GUI4dft - first free SIESTA oriented GUI☆28May 9, 2026Updated last month
- Python client for TeraChem Cloud☆13Jun 19, 2025Updated 11 months ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆47Jun 26, 2025Updated 11 months ago
- ☆15Oct 9, 2025Updated 8 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆33May 14, 2019Updated 7 years ago
- PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra☆15Jun 2, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated 3 weeks ago
- Benchmarks of the H2O Ensemble R interface (H2O 2.0).☆14Nov 4, 2020Updated 5 years ago
- Molecular frequency-dependent response properties for arbitrary operators☆12Jun 2, 2026Updated last week
- Playmol is a(nother) software for building molecular models☆19Mar 14, 2023Updated 3 years ago
- Scripts and instructions for deploying ORCA quantum chemistry program on Linux.☆17Jan 14, 2026Updated 4 months ago
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated 2 months ago
- Data hub and data tool repository related to the NIST PFAS Program.☆12Sep 26, 2024Updated last year
- ☆25Sep 26, 2022Updated 3 years ago
- Scanning probe microscopy simulation tools based on CP2K☆14Jun 1, 2026Updated last week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆35Apr 18, 2023Updated 3 years ago
- Live Debian GNU/Linux System for MateriApps Applications☆57Oct 3, 2025Updated 8 months ago
- ☆38Oct 8, 2019Updated 6 years ago
- Quantum mechanic mass spectrometry calculation program☆49Aug 1, 2025Updated 10 months ago
- ☆15Nov 13, 2022Updated 3 years ago
- Pymatgen-based python script to extract density of states (DOS) and projected DOS from vasprun.xml file☆10Sep 10, 2025Updated 8 months ago
- python wrappers for generating training files for the ReaxFF code☆24Apr 10, 2014Updated 12 years ago