An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
☆13Mar 3, 2010Updated 16 years ago
Alternatives and similar repositories for Avogadro-Packmol-Extension
Users that are interested in Avogadro-Packmol-Extension are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 3 years ago
- Open-source implementation of PC-SAFT equation of state☆13Oct 20, 2022Updated 3 years ago
- Playmol is a(nother) software for building molecular models☆19Mar 14, 2023Updated 3 years ago
- DWSIM Thermodynamics Library (legacy version - 3.x)☆22Feb 19, 2023Updated 3 years ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆24Feb 25, 2019Updated 7 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.
- Python wrapper for packmol molecule packing program☆12Jan 4, 2016Updated 10 years ago
- ☆20Nov 10, 2021Updated 4 years ago
- LigParGen python package version 2.3 (beta)☆14Apr 19, 2025Updated last year
- polygon (ring network) discovery from XYZ files☆11Jun 21, 2016Updated 10 years ago
- Tools for ThermoML parsing☆21Sep 20, 2021Updated 4 years ago
- Resources for and by the #codingForChemists Discord community!☆10Jun 18, 2023Updated 3 years ago
- reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆14Nov 19, 2019Updated 6 years ago
- A suite of tools for visualizing complex mixture FT-MS data☆23Sep 25, 2020Updated 5 years ago
- CP2K binaries for 32/64 bit Windows☆31Jan 12, 2026Updated 6 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆11Jan 12, 2015Updated 11 years ago
- MDAnalysis wrapper around Packmol☆37May 1, 2023Updated 3 years ago
- A series of ipython notebooks with thermodynamic models for multiphase and multicomponent systems.☆19Jul 20, 2017Updated 9 years ago
- PyMOL plugin to calculate accessible contact volumes on PDB structures☆12Mar 17, 2025Updated last year
- Create, use, and analyze machine learning potentials within the many-body expansion framework.☆10Sep 4, 2025Updated 10 months ago
- TUI for Syncthing☆17Updated this week
- CASTEPconv, a tool to automate convergence calculations with CASTEP☆14Aug 9, 2021Updated 4 years ago
- Python module for predicting density, heat capacities and speed of sound of pure fluids using Peng-Robinson, (Soave-)Redlich-Kwong and Le…☆21Oct 19, 2022Updated 3 years ago
- Machine learning interatomic potential for condensed-phase reactive chemistry☆22Jun 6, 2024Updated 2 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.
- Examples for the freud library.☆15Updated this week
- Equation sheets of STEM courses at the University of Washington (UW). Topics include chemistry, physics, calculus, applied mathematics, a…☆20Sep 7, 2023Updated 2 years ago
- TD-VAE in PyTorch☆10May 28, 2019Updated 7 years ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆57Sep 3, 2024Updated last year
- ☆10Dec 27, 2019Updated 6 years ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- An open-source cross-platform PDF reader with built-in hypothes.is annotations☆10Mar 5, 2016Updated 10 years ago
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Feb 15, 2019Updated 7 years ago
- The backend algorithms and framework associated with DREAM3DNX, a data analysis program for materials science data analytics☆17Updated this week
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Python implementation of the DHLLDV slurry transport framework☆12Jun 16, 2026Updated last month
- Converter for NEURON simulator HOC files to SWC☆12Jul 20, 2020Updated 6 years ago
- Chemical equilibrium for electrolytes system in pure python.☆28Mar 29, 2022Updated 4 years ago
- Calculates the vapor-liquid equilibria (pressure versus temperature) phase envelope using Michelsen's continuation method.☆11Nov 12, 2022Updated 3 years ago
- Collection of validation scripts, notebooks, results☆11Dec 23, 2025Updated 7 months ago
- These labs introduce core quantum computing concepts through code-based exercises using Qiskit. Students build and simulate quantum circu…☆17Mar 29, 2026Updated 3 months ago
- Datasets to be used by ESPEI. CC-BY-4.0☆15Oct 9, 2021Updated 4 years ago