Python tools for working with LAMMPS files
☆16Jun 23, 2026Updated last week
Alternatives and similar repositories for lammpsio
Users that are interested in lammpsio are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆14Jun 10, 2015Updated 11 years ago
- A HOOMD-blue component for soft matter simulations.☆27Updated this week
- Computational materials design, with less code.☆13Jun 22, 2026Updated 2 weeks ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Jun 28, 2026Updated last week
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆19Jun 2, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Scripts for building binary release bundle for Linux and Mac.☆11Feb 12, 2024Updated 2 years ago
- A graphical user interface for LobsterPy☆20Nov 8, 2025Updated 7 months ago
- python workflow toolkit☆43Dec 23, 2025Updated 6 months ago
- Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.☆71Jan 8, 2026Updated 5 months ago
- atomes: codeblocks dev files☆15Jun 12, 2026Updated 3 weeks ago
- mechanical stage☆11Aug 6, 2023Updated 2 years ago
- A collection of scripts for producing and analyzing simulations, for computational materials science.☆11Jun 10, 2015Updated 11 years ago
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆17Jul 8, 2023Updated 2 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.
- Generate a Git Murder mystery☆14Jun 14, 2024Updated 2 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- Agent-OM: Leveraging LLM Agents for Ontology Matching☆22May 2, 2026Updated 2 months ago
- Code for EACL 26 Findings paper "I-MCTS: Enhancing Agentic AutoML via Introspective Monte Carlo Tree Search"☆13Jan 28, 2026Updated 5 months ago
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Jun 26, 2026Updated last week
- A lightweight kmer-based algorithm for designing diagnostic CRISPR assays using genome data.☆13Aug 19, 2024Updated last year
- Tools for performing vibrational analysis on molecular systems.☆19Sep 15, 2023Updated 2 years ago
- A flexible and performant framework for training machine learning potentials.☆37Jun 29, 2026Updated last week
- APEX: Alloy Properties EXplorer using simulations☆45Updated this week
- 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.
- For advanced physics-driven combined with neural network enhancement force field.☆19Mar 9, 2026Updated 3 months ago
- MCP Atlas☆109Updated this week
- Active Learning for Machine Learning Potentials☆69Jun 20, 2026Updated 2 weeks ago
- ☆16Jan 9, 2025Updated last year
- sample images, examples, and speed tests for trackpy☆23Jul 10, 2025Updated 11 months ago
- An iOS / macOS Swift Package for Rendering Markdown and LaTeX in a WebView☆43Mar 14, 2026Updated 3 months ago
- [ACL'26 Oral] Interleaved Latent Visual Reasoning with Selective Perceptual Modeling☆65May 29, 2026Updated last month
- A Simple PHP "Origin Pull" CDN Passthrough caching class☆18Apr 3, 2017Updated 9 years ago
- CHEMSMART: Chemistry Simulation and Modeling Automation Toolkit☆38Jun 23, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Verifying the optimization phases of the GraalVM compiler☆15Updated this week
- Code and data release for FEABench: Evaluating Language Models on Multiphysics Reasoning Ability. [MATH-AI workshop, NeurIPS 2024]☆14May 7, 2025Updated last year
- Implementing TCP/IP in Rust leveraging eBPF/XDP☆21Mar 30, 2025Updated last year
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago
- [ICLR'26] MARSHAL: Incentivizing Multi-Agent Reasoning via Self-Play with Strategic LLMs☆53Apr 17, 2026Updated 2 months ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆41Updated this week
- FlowMatic: An Immersive Authoring Tool for Creating Interactive Scenes in Virtual Reality☆12Dec 1, 2023Updated 2 years ago