Gromacs topology template generator
☆16Jul 15, 2021Updated 5 years ago
Alternatives and similar repositories for GenTopo
Users that are interested in GenTopo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Gromacs Topology Files for common Ionic Liquids☆24Jan 24, 2026Updated 9 months ago
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated last year
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆39Nov 2, 2022Updated 4 years ago
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆16Jul 27, 2024Updated 2 years ago
- Gromacs Implementation of OPLS-AAM Force field☆15Aug 5, 2018Updated 8 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆42Aug 19, 2026Updated 2 months ago
- Code and examples to compute IR spectra from normal mode analysis☆15Jul 28, 2022Updated 4 years ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆26Oct 26, 2026Updated last week
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆16Updated this week
- Discontinuous Molecular Dynamics (DMD) Simulation Package☆17Updated this week
- Some of useful tcl scripts to analyse data from VMD☆16Aug 2, 2022Updated 4 years ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆28May 12, 2026Updated 5 months ago
- Yasara plugins for Gromacs users☆35Jan 8, 2024Updated 2 years ago
- GridMAT-MD membrane analysis program☆26Sep 15, 2018Updated 8 years 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.
- Teaching Utility for Classical Atomistic Simulation.☆31Oct 14, 2026Updated 2 weeks ago
- ☆23Dec 11, 2024Updated last year
- ☆13Mar 21, 2021Updated 5 years ago
- MolDockLab is a data-driven workflow developed to identify the best balanced consensus Structure-Based Virtual Screening (SBVS) workflow …☆14Jul 28, 2026Updated 3 months ago
- Tools, tutorials, and wiki for GROMACS☆21Jul 21, 2020Updated 6 years ago
- Parallel Molecular Docking using PLANTS software☆15Dec 8, 2024Updated last year
- ☆52Jun 15, 2020Updated 6 years ago
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆25Jan 27, 2020Updated 6 years ago
- Official repo of the Biomeccanica Multiscala course (prof. Marco A. Deriu) - Master Degree in Biomedical engineering, Politecnico di Tori…☆12Jan 2, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Fully automated docking pipeline (can be run in distributed environments)☆88Updated this week
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 6 months ago
- ☆34Sep 22, 2026Updated last month
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- An Integrated VMD Graphical User Interface for Molecular Packing☆34Dec 28, 2024Updated last year
- Automatic Construction of Molecular Topologies☆12Jan 14, 2015Updated 11 years ago
- ☆40Jun 10, 2025Updated last year
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 2024Updated 2 years ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆20Apr 27, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Development of High-Throughput Polymer Network Atomistic Simulation☆35Oct 25, 2026Updated last week
- Parallelizable Gaussian Accelerated Molecular Dynamics☆11Mar 20, 2026Updated 7 months ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆39May 8, 2023Updated 3 years ago
- Automatically prepare structures from the PDB for molecular dynamics simulation☆14Updated this week
- Pharmacon: A Molecular Dynamics Analysis Toolkit☆25Oct 5, 2026Updated 3 weeks ago
- Scripts for calculating RESP charges with Gaussian, starting only with .xyz file of your compound. Generate .mol2, .frcmod and .pdb with …☆10Mar 26, 2019Updated 7 years ago