Development of High-Throughput Polymer Network Atomistic Simulation
☆25Mar 26, 2026Updated 2 weeks ago
Alternatives and similar repositories for htpolynet
Users that are interested in htpolynet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- ☆18Jul 14, 2022Updated 3 years ago
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆15Mar 4, 2026Updated last month
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 2 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 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.
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Updated this week
- A Python library for constructing polymer topologies and coordinates☆19Sep 23, 2025Updated 6 months ago
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆19Mar 24, 2026Updated 3 weeks ago
- Supplementary scripts for Z1+ users☆18Dec 12, 2025Updated 4 months ago
- ☆14Jun 4, 2024Updated last year
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- Conversion tool for molecular simulations☆225Jan 22, 2026Updated 2 months ago
- ☆59Apr 7, 2026Updated last week
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆253Feb 2, 2026Updated 2 months 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.
- Builder for molecular systems☆17Feb 3, 2026Updated 2 months ago
- rule-based virtual polymer library generator☆50Dec 23, 2025Updated 3 months ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆20Jun 9, 2024Updated last year
- DyNoPy☆11Sep 5, 2024Updated last year
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated last month
- ☆81Dec 18, 2024Updated last year
- NAMD-xtb-QMMM-interface☆11Jul 21, 2020Updated 5 years ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆187Apr 1, 2026Updated 2 weeks ago
- Free Parametrization for Small Molecules☆52Feb 18, 2026Updated last month
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆42Jan 29, 2026Updated 2 months ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- ☆10Mar 31, 2023Updated 3 years ago
- ☆28Feb 25, 2022Updated 4 years ago
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆18Apr 9, 2026Updated last week
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- Geometric super-resolution for molecular geometries☆42Jun 15, 2022Updated 3 years ago
- The future of Packmol☆41Mar 4, 2026Updated last month
- 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.
- 🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains☆27Jul 29, 2021Updated 4 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 5 years ago
- ☆20Aug 5, 2025Updated 8 months ago
- ☆13Dec 17, 2025Updated 3 months ago
- Physics Informed Neural Networks (PINNs) code to solve the 3D Poisson-Boltzmann equation.☆15Mar 31, 2025Updated last year
- This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration fr…☆33Jun 3, 2025Updated 10 months ago
- python simulation interface for molecular modeling☆105Jun 26, 2022Updated 3 years ago