A third-party distribution of Multiwfn for gfortran, 100% free!
☆20Jul 31, 2018Updated 7 years ago
Alternatives and similar repositories for gMultiwfn
Users that are interested in gMultiwfn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A BioMADE Collaboration Project☆13Oct 28, 2025Updated 8 months ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- A wrapper for Multiwfn (Linux) written in bash.☆11Sep 10, 2019Updated 6 years ago
- A high-performance tensor computation framework for the quantum physics community☆26Sep 6, 2021Updated 4 years ago
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Real-time TDDFT for Quantum-Espresso☆26Jun 22, 2023Updated 3 years ago
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- ☆13Apr 11, 2019Updated 7 years ago
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 6 years ago
- ☆20Oct 18, 2022Updated 3 years ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆28Jun 12, 2026Updated 3 weeks ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- Nudged-Elastic Band implementation in python☆25Dec 31, 2016Updated 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.
- General post-processing scripts used for my research☆18Apr 17, 2018Updated 8 years ago
- Material for the workshop at FortranCon 2020☆19Jul 11, 2020Updated 5 years ago
- GROMACS input files☆19May 17, 2023Updated 3 years ago
- A library for using machine-learned exchange-correlation functionals for density-functional theory☆21Sep 18, 2021Updated 4 years ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Mar 7, 2021Updated 5 years ago
- Quantum to Molecular Mechanics (Q2MM)☆25May 8, 2026Updated last month
- Official mirror of Quantum ESPRESSO☆48Jan 27, 2018Updated 8 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago
- ☆10Mar 2, 2021Updated 5 years ago
- 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.
- Python interface for Q-Chem☆24May 27, 2026Updated last month
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 3, 2022Updated 3 years ago
- ☆20Aug 10, 2023Updated 2 years ago
- Atoms In Molecules Neural Network Potential☆108Nov 21, 2019Updated 6 years ago
- The High Performance Collision Cross Section (HPCCS) is a new software for fast and accurate calculation of CCS for molecular ions. Based…☆17May 11, 2020Updated 6 years ago
- ASE density-functional tight-binding calculator☆68Jan 23, 2025Updated last year
- MPI parallelization for PySCF☆36Nov 1, 2024Updated last year
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 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.
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆18Apr 29, 2026Updated 2 months ago
- faster docking☆21Apr 7, 2021Updated 5 years ago
- Automatically exported from code.google.com/p/otla☆11Apr 3, 2015Updated 11 years ago
- Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)☆23Jun 25, 2026Updated last week
- Fast continuum solvation based on domain decomposition☆30May 20, 2026Updated last month
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year