Agent skill for LAMMPS simulation setup, force-field checks, restarts, and scheduler scripts.
☆30Mar 10, 2026Updated 8 months ago
Alternatives and similar repositories for lammps-workflows
Users that are interested in lammps-workflows are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automation of VASP DFT workflows with ASE - application scripts☆23May 24, 2023Updated 3 years ago
- ☆11Updated this week
- Molecular dynamics simulation skills for AI agents☆17Updated this week
- ☆30Sep 9, 2026Updated 2 months ago
- An automatic tool utilizing multi agent framework CrewAI and MCP for VASP calculation.☆121Oct 18, 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.
- Scalable graph neural networks for materials property prediction☆66Feb 2, 2026Updated 9 months ago
- Data and code for our paper "Generative Inverse Design of Metamaterials with Functional Responses by Interpretable Learning".☆15Jan 20, 2025Updated last year
- I have moved the GitHub repository to a new location.☆14Jul 30, 2026Updated 3 months ago
- 半自动注册稳定 Grok 账号,可导入 grok2api 和 cpa 使用,手动使用临时邮箱注册。☆14Jul 23, 2026Updated 3 months ago
- ☆178Sep 27, 2026Updated last month
- A framework that predicts the molecular structure when given Infrared and 13C Nuclear magnetic resonance spectra without referring to any…☆10Jan 17, 2024Updated 2 years ago
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 3 years ago
- WESTpy code☆13Aug 29, 2026Updated 2 months ago
- Ester Studio:免费使用、源码公开的计算化学建模、输入准备与后处理工作台。Windows 便携版与完整源码下载。☆67Nov 5, 2026Updated last week
- 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.
- ☆19Nov 25, 2025Updated 11 months ago
- Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)☆10Feb 26, 2025Updated last year
- ☆11Dec 10, 2023Updated 2 years ago
- Compare intel and kunpeng cpus, helping people know about Kunpeng, the ARM64 chip.☆14Nov 23, 2020Updated 5 years ago
- Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).☆14May 18, 2018Updated 8 years ago
- ☆11Mar 16, 2024Updated 2 years ago
- Lesson material for VASP best practices workshop☆13Apr 18, 2024Updated 2 years ago
- A Machine Learning Benchmark for Predicting Enhanced-Precision Electronic Charge Density in Crystalline Inorganic Materials☆15Feb 9, 2025Updated last year
- CRISP: Enhancing ASE Workflows with Advanced Molecular Simulation Post-Processing☆13Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Transformer in Chemical Language Model sometimes misunderstands chirality☆13Apr 19, 2024Updated 2 years ago
- LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator☆14Sep 28, 2026Updated last month
- 脚本自动获取搬瓦工最新优惠码☆11Mar 3, 2020Updated 6 years ago
- A library to align rigid molecules and clusters☆13Updated this week
- Custom trained GRACE-OFFF models☆12Nov 4, 2026Updated last week
- Self-driving laboratory for accelerated discovery of thin-film materials - data repository☆23Dec 22, 2025Updated 10 months ago
- Low-latency ASR using SpeechBrain StreamingASR and torchaudio StreamReader.☆19Apr 19, 2025Updated last year
- Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells☆11Feb 23, 2018Updated 8 years ago
- A Python library for reading and writing Wannier90 files☆17May 30, 2024Updated 2 years ago
- 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.
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 3 years ago
- Software for electron pair distribution function (ePDF) analysis with amorphous material.☆14Aug 14, 2024Updated 2 years ago
- ☆13Jan 4, 2024Updated 2 years ago
- ☆17Apr 22, 2025Updated last year
- polygon (ring network) discovery from XYZ files☆11Jun 21, 2016Updated 10 years ago
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合,可用于并行计算等温线、高通量模拟,zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆58Apr 1, 2025Updated last year
- CuPd cluster expansion calculations☆12Oct 27, 2016Updated 10 years ago
Are these results useful?