Tool for generating MARTINI Polymer itps and structures
☆17Aug 1, 2020Updated 6 years ago
Alternatives and similar repositories for Martini_PolyPly
Users that are interested in Martini_PolyPly are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆197Aug 17, 2026Updated 2 weeks ago
- 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
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 5 years ago
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 5 years ago
- Julia utilities for reading in and analyzing Gromacs simulation results☆19Oct 3, 2020Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆69Aug 2, 2026Updated last month
- GridMAT-MD membrane analysis program☆26Sep 15, 2018Updated 7 years ago
- Automatic MARTINI parametrization of small organic molecules☆76May 28, 2025Updated last year
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆24Feb 25, 2019Updated 7 years ago
- ☆66Dec 10, 2025Updated 8 months ago
- Gromacs to Lammps simulation converter☆95Dec 9, 2023Updated 2 years ago
- ☆12Jan 1, 2019Updated 7 years ago
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated 2 years ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆10Nov 6, 2025Updated 9 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆34Nov 5, 2025Updated 9 months ago
- GROM is a GROMACS(mdp,itp,top) files with Syntax Highlighting and PDB Editor with visual cues in one package based on Qt5,PyQt5 and Pyth…☆11Nov 14, 2016Updated 9 years ago
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆16Jul 2, 2024Updated 2 years ago
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- ☆11Aug 29, 2022Updated 4 years ago
- Modern Fortran toolkit for analyzing GROMACS simulations☆14Oct 3, 2020Updated 5 years ago
- A molecule viewer with cavity computation☆17Jul 29, 2026Updated last month
- 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
- 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
- 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.
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆15Nov 24, 2020Updated 5 years ago
- CRIPT Python SDK☆11Apr 13, 2023Updated 3 years ago
- TS2CG version 2☆29Apr 18, 2026Updated 4 months ago
- Packs stuff in boxes☆25Jul 7, 2026Updated last month
- Gromacs Implementation of OPLS-AAM Force field☆15Aug 5, 2018Updated 8 years ago
- ☆12Feb 4, 2025Updated last year
- a python package for the interfacial analysis of molecular simulations☆98Aug 27, 2026Updated last week
- Experimental small molecule hydration free energy dataset☆33Mar 29, 2022Updated 4 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆14Updated this week
- 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.
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆16Oct 21, 2015Updated 10 years ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 4 years ago
- Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of p…☆13Feb 26, 2024Updated 2 years ago
- Home of the public Martini 3 lipid parameters☆29Sep 29, 2025Updated 11 months ago
- Coarse-Grained SMILES (CGsmiles) A Versatile Line Notation for Molecular Representations Across Multiple Resolutions☆17Updated this week
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations…☆13Mar 12, 2026Updated 5 months ago