Massively parallel hybrid particle-field molecular dynamics in Python.
☆31Sep 6, 2024Updated 2 years ago
Alternatives and similar repositories for HyMD
Users that are interested in HyMD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Quantum systems containing matrix elements for second quantized solvers☆11Oct 30, 2024Updated 2 years ago
- ☆10May 1, 2025Updated last year
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Oct 29, 2026Updated last week
- Massively parallel hybrid particle-field molecular dynamics (hPF-MD) simulation method in Julia☆12Jan 14, 2022Updated 4 years ago
- Martini 3 small molecule database☆74May 13, 2026Updated 5 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- VMD Tcl language scripts of molecular dynamics modeling, analyzing, and visualization.☆11Apr 12, 2020Updated 6 years ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆69Aug 2, 2026Updated 3 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆32Jan 21, 2026Updated 9 months ago
- Auxiliary tools for automated atomistic and coarse-grained molecular dynamics simulations using gromacs☆11Apr 23, 2021Updated 5 years ago
- Generative backmapping of coarse-grained molecular systems using an equivariant graph neural network and flow-matching☆13Sep 17, 2025Updated last year
- Builder for molecular systems☆17Feb 3, 2026Updated 9 months ago
- MultiResolution Computation Program Package☆16Updated this week
- Mapping from Coarse Grain Models to Atomistic (and Back)☆22Sep 27, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures☆12Jun 17, 2026Updated 4 months 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
- A 3D interactive program for molecular dynamics☆10Jun 2, 2025Updated last year
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆204Oct 22, 2026Updated 2 weeks ago
- A user-friendly Laboratory Information Management System (LIMS) development and implementation☆12Apr 11, 2022Updated 4 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆12Oct 8, 2021Updated 5 years ago
- Bottom-up Open-source Coarse-graining Software☆24Jun 12, 2026Updated 4 months ago
- ☆10Mar 31, 2023Updated 3 years ago
- A repository for contributed EasyConfig files that LUMI users can install at their own discretion or use as a starting base for their own…☆22Updated this week
- 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.
- Molecular dynamics simulations in Python and Cython. Simulates Lennard-Jones particles in the NVE ensemble using the Verlet method and hi…☆12Jun 2, 2015Updated 11 years ago
- ☆11Updated this week
- Atomify - a realtime LAMMPS visualizer☆163Oct 19, 2022Updated 4 years ago
- Gromacs topology template generator☆16Jul 15, 2021Updated 5 years ago
- ProLint 2.0: a scalable framework for the analysis of biomolecular interactions in MD simulations.☆12Jun 14, 2026Updated 4 months ago
- ☆19May 21, 2026Updated 5 months ago
- Differentiable molecular simulation of proteins with a coarse-grained potential☆56Apr 3, 2025Updated last year
- This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…☆16May 26, 2026Updated 5 months ago
- scalable molecular simulation☆144Apr 28, 2026Updated 6 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- python library for dimensionality reduction☆35Jul 6, 2026Updated 4 months ago
- ☆14Dec 28, 2025Updated 10 months ago
- OMNI-P2x: A universal neural network potential for excited states☆16Mar 19, 2026Updated 7 months ago
- ☆11May 12, 2026Updated 5 months ago
- Packmol - Initial configurations for molecular dynamics simulations☆384May 27, 2026Updated 5 months ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆58Oct 31, 2026Updated last week
- The Vini in silico model of cancer☆12Updated this week