An Integrated VMD Graphical User Interface for Molecular Packing
☆32Dec 28, 2024Updated last year
Alternatives and similar repositories for PACKMOL-GUI
Users that are interested in PACKMOL-GUI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Data and script of Umbrella Sampling for molecular transmembrane☆14Jun 21, 2024Updated last year
- ☆16Jan 13, 2026Updated 3 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 3 months ago
- ☆11Aug 30, 2020Updated 5 years ago
- Gromacs topology template generator☆16Jul 15, 2021Updated 4 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.
- ☆37Mar 4, 2024Updated 2 years ago
- SMARTS: 'regular expressions' for chemical structures☆22Jun 21, 2018Updated 7 years ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 3 months ago
- CmuMD implementation for PLUMED2☆22Aug 4, 2023Updated 2 years ago
- Fully automated high-throughput MD pipeline☆90Mar 11, 2026Updated last month
- Visual Interactive Analysis of Molecular Dynamics☆321Updated this week
- ☆21Dec 11, 2024Updated last year
- Parallel Molecular Docking using PLANTS software☆14Dec 8, 2024Updated last year
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆15Apr 3, 2026Updated 3 weeks ago
- 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.
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- ☆51Jan 15, 2026Updated 3 months ago
- ☆15Nov 29, 2023Updated 2 years ago
- A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.☆17Feb 4, 2025Updated last year
- ☆16Feb 17, 2025Updated last year
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆17Feb 6, 2025Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Sire Molecular Simulations Framework☆65Updated this week
- model builder for molecular dynamics simulations☆16Feb 16, 2023Updated 3 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.
- ☆25Mar 8, 2023Updated 3 years ago
- Input script for Monte Carlo (GCMC) simulations☆20Sep 5, 2024Updated last year
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated 2 months ago
- Python program for modelling and simulating polymers.☆41Apr 16, 2026Updated 2 weeks ago
- Charge equilibration method for crystal structures☆18Dec 16, 2022Updated 3 years ago
- ☆19Jul 14, 2022Updated 3 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- ☆21May 28, 2025Updated 11 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Gromacs to Lammps simulation converter☆92Dec 9, 2023Updated 2 years ago
- ☆39Dec 16, 2021Updated 4 years ago
- Some GROMACS tutorials using methane and water☆16Dec 7, 2016Updated 9 years ago
- A TCL code for the calculation of mass/number density of a system.☆19Jun 21, 2024Updated last year
- Deep Coarse-grained Potentials via Relative Entropy Minimization☆18Feb 22, 2023Updated 3 years ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆80Apr 8, 2026Updated 3 weeks ago
- Demos of many Rosetta applications☆25Jun 10, 2025Updated 10 months ago