Generate PEG topology for GROMACS and LAMMPS
☆26Aug 19, 2024Updated last year
Alternatives and similar repositories for PEGgenerator
Users that are interested in PEGgenerator are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 11 months ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 6 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆30Jan 21, 2026Updated 6 months ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- Gromacs to Lammps simulation converter☆95Dec 9, 2023Updated 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.
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- python simulation interface for molecular modeling☆108Jun 26, 2022Updated 4 years ago
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆25Jan 16, 2026Updated 6 months ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Jul 14, 2026Updated last month
- Builder for molecular systems☆17Feb 3, 2026Updated 6 months ago
- Force Field X - Software for Molecular Biophysics☆26Jul 26, 2026Updated 2 weeks ago
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- GROMACS input files☆19May 17, 2023Updated 3 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 9 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆37Jul 18, 2025Updated last year
- Learn molecular simulation with Python☆17Dec 31, 2024Updated last year
- A general forcefield for phonon properties of metal-organic frameworks☆13Sep 13, 2020Updated 5 years ago
- A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.☆14May 29, 2020Updated 6 years ago
- LAMMPS inputs and data files☆309Oct 9, 2024Updated last year
- Shared repo for trajectory analysis and infrastructure development☆24Feb 21, 2024Updated 2 years ago
- Software for automated processing of alchemical free energy calculations☆12Nov 7, 2022Updated 3 years ago
- For the purpose of post progressing of MD carried by gromacs☆24Jul 2, 2025Updated last year
- Molecular simulation toolkit☆20Jun 6, 2026Updated 2 months 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.
- Personal functions for making figures in Python☆20Jun 27, 2026Updated last month
- ☆13Jul 17, 2025Updated last year
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Jul 10, 2026Updated last month
- How-to perform LAMMPS simulations☆16Nov 27, 2023Updated 2 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- A deep learning solvation model☆13Aug 24, 2021Updated 4 years ago
- ☆15Aug 13, 2021Updated 5 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆24Updated this week
- Tool to convert '.com' Gaussian files into files supported by 3D rendering programs, such as Blender, Maya, and others.☆15Jul 21, 2026Updated 3 weeks 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.
- The integrated tempering sampling as a bias in PLUMED2☆11Jan 15, 2021Updated 5 years ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆322Nov 17, 2025Updated 8 months ago
- ☆21Sep 19, 2025Updated 10 months ago
- Bondorder and formal charge determination for molecules☆10Jan 16, 2022Updated 4 years ago
- Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…☆16Apr 13, 2026Updated 4 months ago
- Robust Equilibration Detection☆29Aug 6, 2026Updated last week
- ☆34Sep 23, 2023Updated 2 years ago