A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures
☆12Apr 21, 2026Updated 2 weeks ago
Alternatives and similar repositories for polyGraft
Users that are interested in polyGraft are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python interface for Enhanced Monte Carlo (EMC)☆22Apr 27, 2026Updated last week
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆24Apr 24, 2026Updated last week
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 3 months ago
- Python program for modelling and simulating polymers.☆41Apr 16, 2026Updated 2 weeks ago
- Build coarse-grained mapping for molecules from a web-GUI☆18Sep 10, 2021Updated 4 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.
- ☆60Apr 7, 2026Updated 3 weeks ago
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆19Mar 24, 2026Updated last month
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆189Updated this week
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆18Mar 20, 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 2 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Nov 27, 2025Updated 5 months ago
- ☆13Dec 17, 2025Updated 4 months ago
- Awesome list about AI4Polymer☆18Apr 21, 2026Updated 2 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆16Jul 8, 2023Updated 2 years ago
- Flexible storage of chemical topology for molecular simulation☆70Updated this week
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- The integrated tempering sampling as a bias in PLUMED2☆11Jan 15, 2021Updated 5 years ago
- SIMD instructions for faster distance calculations.☆25Apr 7, 2026Updated 3 weeks ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Updated this week
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆48Aug 19, 2024Updated last year
- A tool to characterize the local structure of liquid water by geometric order parameters.☆15Jul 31, 2024Updated last year
- Supplementary scripts for Z1+ users☆18Dec 12, 2025Updated 4 months 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.
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 4 years ago
- perl script of Materials Studio☆27Apr 23, 2023Updated 3 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
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆19Apr 23, 2026Updated last week
- Data and script of Umbrella Sampling for molecular transmembrane☆14Jun 21, 2024Updated last year
- Bottom-up Open-source Coarse-graining Software☆21Aug 9, 2024Updated last year
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Nov 24, 2021Updated 4 years ago
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated 9 months ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆30Sep 6, 2024Updated last year
- Examples for the signac framework.☆15Apr 20, 2026Updated 2 weeks ago
- ☆16Oct 29, 2025Updated 6 months ago
- Builder for molecular systems☆17Feb 3, 2026Updated 3 months ago