The ESPResSo package
☆268Jun 2, 2026Updated 2 weeks ago
Alternatives and similar repositories for espresso
Users that are interested in espresso are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an…☆13May 3, 2026Updated last month
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆41Updated this week
- Main ESPResSo++ repository☆45Mar 7, 2026Updated 3 months ago
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 9 months ago
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆19Nov 21, 2019Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- Lattice Boltzmann code built on AMReX☆14Apr 7, 2020Updated 6 years ago
- The In Silico Lab-On-A-Chip☆21Jan 20, 2023Updated 3 years ago
- Public-facing repository for the open-source project Lattice-Boltzmann @ The University of Manchester (LUMA).☆56Jul 2, 2025Updated 11 months ago
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆436Updated this week
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆21Oct 10, 2025Updated 8 months ago
- En este repositorio encontraran el material necesario teorico y practico para el Curso Git Essentials 2023☆21May 14, 2026Updated last month
- A post-processing engine for particle simulations☆46May 22, 2026Updated 3 weeks 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.
- Final project of CFD-Lab course at TUM.☆17Sep 9, 2017Updated 8 years ago
- ☆14Sep 22, 2019Updated 6 years ago
- ☆19Mar 27, 2026Updated 2 months ago
- Collective variables library for molecular simulation and analysis programs☆237Updated this week
- HemoCell is a high-performance suspension code for simulating blood flows developed by the Computational Science Lab at the University of…☆52Jun 16, 2023Updated 3 years ago
- Powerful, efficient particle trajectory analysis in scientific Python.☆322Updated this week
- This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5…☆11May 22, 2019Updated 7 years ago
- A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…☆66Apr 30, 2026Updated last month
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 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.
- Adaptive Mesh Refinement (AMR) technique utilized with the Lattice-Boltzmann Method (LBM) for numerical simulation of multiphase flows. O…☆66Sep 24, 2018Updated 7 years ago
- TCLB - Templated MPI+CUDA/CPU Lattice Boltzmann code☆204Mar 12, 2026Updated 3 months ago
- Machine Learned Interatomic Potential Tools☆25Updated this week
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 3 months ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Public development project of the LAMMPS MD software package☆2,931Updated this week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,595Jun 2, 2026Updated 2 weeks ago
- A HOOMD-blue component for soft matter simulations.☆27Updated this week
- LAMMPS tutorials for both beginners and advanced users☆142Oct 2, 2025Updated 8 months 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.
- Python interface for Enhanced Monte Carlo (EMC)☆23Apr 27, 2026Updated last month
- Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…☆16Apr 13, 2026Updated 2 months ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆315Nov 17, 2025Updated 6 months ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 4 months ago
- General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well☆17Sep 16, 2018Updated 7 years ago
- ☆42Jun 9, 2026Updated last week
- Tool to build force field input files for molecular simulation☆201Apr 1, 2026Updated 2 months ago