Development of High-Throughput Polymer Network Atomistic Simulation
☆27May 18, 2026Updated last week
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
- ☆20Jul 14, 2022Updated 3 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 4 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆22Apr 27, 2026Updated 3 weeks 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.
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22May 18, 2026Updated last week
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 8 months ago
- Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various t…☆20Mar 24, 2026Updated 2 months ago
- Supplementary scripts for Z1+ users☆18Dec 12, 2025Updated 5 months ago
- ☆15Jun 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☆226Jan 22, 2026Updated 4 months ago
- ☆61May 18, 2026Updated last week
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆259Feb 2, 2026Updated 3 months 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.
- Builder for molecular systems☆17Feb 3, 2026Updated 3 months ago
- rule-based virtual polymer library generator☆52Dec 23, 2025Updated 5 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)☆23Apr 27, 2026Updated 3 weeks ago
- ☆81Dec 18, 2024Updated last year
- NAMD-xtb-QMMM-interface☆12Jul 21, 2020Updated 5 years ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆189May 8, 2026Updated 2 weeks ago
- Free Parametrization for Small Molecules☆53Updated this week
- 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.
- 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☆43Jan 29, 2026Updated 3 months ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- ☆10Mar 31, 2023Updated 3 years ago
- ☆29Feb 25, 2022Updated 4 years ago
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆19Updated this 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☆42Updated this week
- 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.
- 🦜 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 9 months ago
- ☆13Dec 17, 2025Updated 5 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…☆34Jun 3, 2025Updated 11 months ago
- python simulation interface for molecular modeling☆106Jun 26, 2022Updated 3 years ago