A post-processing engine for particle simulations
☆46May 22, 2026Updated 2 months ago
Alternatives and similar repositories for MDSuite
Users that are interested in MDSuite are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Machine Learned Interatomic Potential Tools☆25Aug 10, 2026Updated last week
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆50Aug 10, 2026Updated last week
- Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.☆57Aug 10, 2026Updated last week
- Use dask to run the DVC Graph☆16Jul 18, 2024Updated 2 years ago
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated last year
- 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.
- ☆12Oct 10, 2023Updated 2 years ago
- The core of the SEAMM environment and graphical interface.☆17Updated this week
- Jax / Haiku implementation of DimeNet++.☆18Mar 31, 2022Updated 4 years ago
- Compute neighbor lists for atomistic systems☆85Aug 7, 2026Updated last week
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆62Aug 10, 2026Updated last week
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆107Updated this week
- Stable AutoCorrelation Integral Estimator☆17May 18, 2026Updated 3 months ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆106Jan 28, 2026Updated 6 months ago
- A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems☆22Aug 20, 2025Updated 11 months ago
- 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.
- LigParGen python package version 2.3 (beta)☆14Apr 19, 2025Updated last year
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 3 years ago
- The ESPResSo package☆273Updated this week
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆77Updated this week
- pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an…☆13Updated this week
- Some tutorial-style examples for validating machine-learned interatomic potentials