Generate coarse-grained molecular dynamics models from atomistic trajectories.
☆69Aug 2, 2026Updated 2 months ago
Alternatives and similar repositories for pycgtool
Users that are interested in pycgtool are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆49Aug 19, 2024Updated 2 years ago
- Automatic MARTINI parametrization of small organic molecules☆76May 28, 2025Updated last year
- A tool to create molecule structures from topology information (GROMACS-only)☆11Feb 23, 2026Updated 8 months ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 6 years ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 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.
- a python package for the interfacial analysis of molecular simulations☆98Oct 20, 2026Updated last week
- Mapping from Coarse Grain Models to Atomistic (and Back)☆22Sep 27, 2023Updated 3 years ago
- Tools to build coarse grained models and perform simulations with OpenMM☆24Aug 12, 2026Updated 2 months ago
- Describe and apply transformation on molecular structures and topologies☆152Updated this week
- Martini 3 small molecule database☆74May 13, 2026Updated 5 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆32Jan 21, 2026Updated 9 months ago
- Coarse-graining potentials from atomistic references made easy☆26Sep 27, 2021Updated 5 years ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆203Oct 22, 2026Updated last week
- The source of the votca-csg and xtp packages☆67Oct 24, 2026Updated last week
- 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.
- Conversion tool for molecular simulations☆231Jan 22, 2026Updated 9 months ago
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26May 12, 2021Updated 5 years ago
- ☆28Jan 20, 2022Updated 4 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆84Sep 5, 2024Updated 2 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆193May 20, 2026Updated 5 months ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆25Feb 25, 2019Updated 7 years ago
- learning coarse-grained force fields☆65Nov 30, 2021Updated 4 years ago
- PARENT: a parallel software suite for the calculation of configurational entropy in biomolecular systems☆16Jan 20, 2022Updated 4 years ago
- A hierarchical, component based molecule builder☆231Updated this week
- 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.
- Bottom-up Open-source Coarse-graining Software☆24Jun 12, 2026Updated 4 months ago
- Map atomistic trajectories to CG Martini level fast and compute interactions☆17Oct 26, 2026Updated last week
- Tool for generating MARTINI Polymer itps and structures☆17Aug 1, 2020Updated 6 years ago
- Collective variables library for molecular simulation and analysis programs☆243Updated this week
- the simple alchemistry library☆248Jun 1, 2026Updated 5 months ago
- A suite of tools to explore protein structures with Protein Blocks☆30Jan 27, 2021Updated 5 years ago
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- ☆40Jan 31, 2022Updated 4 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆97Oct 19, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A Python package to compute bond orientational order parameters as defined by Steinhardt, Physical Review B (1983)☆32Nov 30, 2017Updated 8 years ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆31Sep 6, 2024Updated 2 years ago
- python simulation interface for molecular modeling☆109Jun 26, 2022Updated 4 years ago
- Reads Gromacs EDR file to populate a pandas dataframe☆34Oct 12, 2025Updated last year
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆54Updated this week
- GridMAT-MD membrane analysis program☆26Sep 15, 2018Updated 8 years ago
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Updated this week