Collecting a variety of Agent-Ready tool modules
☆79Feb 19, 2026Updated last month
Alternatives and similar repositories for AI4S-agent-tools
Users that are interested in AI4S-agent-tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An open project initiated by the DeepModeling community focused on constructing intelligent agents for scientific research. It is committ…☆38Jul 24, 2025Updated 8 months ago
- This is a mirror repository of gpu4pyscf. Please refer to https://github.com/pyscf/gpu4pyscf for the latest development.☆16Updated this week
- URL links to phonondb data☆34Feb 16, 2026Updated last month
- 基于python的PLUMED的可视化界面开发☆12Jan 8, 2025Updated last year
- ☆17Jul 20, 2025Updated 8 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Language-interfaced fine-tuning for chemistry☆45Nov 30, 2023Updated 2 years ago
- 一个简洁高效的 AI 命令行助手，支持对话、命令生成、文件处理。☆17Sep 16, 2025Updated 6 months ago
- Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows…☆81Jan 21, 2026Updated 2 months ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆97Mar 16, 2026Updated last week
- Script version of Soft Potato, the electrochemistry simulator.☆11Dec 17, 2025Updated 3 months ago
- A Platform for Laboratory Automation.☆134Updated this week
- Tool to analyze the charge evolution in a reaction pathway as derived from the nudged elastic band (NEB) method in VASP☆15Jan 2, 2022Updated 4 years ago
- Package for parsing the contents of Gamry EXPLAIN data (DTA) files☆10Feb 29, 2024Updated 2 years ago
- OpenClaw ClawdBot 龙虾AI 一键部署教程 | 免费白嫖 MiniMax + AWS Claude | 国内可用☆47Feb 13, 2026Updated last month
- 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.
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆26Mar 6, 2026Updated 3 weeks ago
- ☆11Mar 31, 2023Updated 2 years ago
- 🧰 数据科学科研工具箱☆13Mar 22, 2025Updated last year
- ai-agent-021：Build AI Agent from 0 to 1☆31Feb 27, 2026Updated last month
- ☆23Apr 15, 2025Updated 11 months ago
- Contains models developed for capacity estimation of batteries using EIS Impedance Curves and CC-CV Charging curves☆10Nov 3, 2022Updated 3 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Sep 17, 2025Updated 6 months ago
- ☆13Feb 12, 2023Updated 3 years ago
- Example for latex to word using Pandoc☆13Apr 23, 2022Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- [TMLR] CodePDE: An Inference Framework for LLM-driven PDE Solver Generation☆71Feb 12, 2026Updated last month
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Aug 16, 2019Updated 6 years ago
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆254Updated this week
- Computational tools for simulation of high-entropy alloy surfaces☆19Jun 17, 2025Updated 9 months ago
- ☆21Sep 1, 2025Updated 6 months ago
- Implementation for "DeltaPhi: Learning Physical Trajectory Residual for PDE Solving"☆13Jun 17, 2024Updated last year
- Molecular conformer generation using enhanced sampling methods☆20Jul 28, 2025Updated 7 months ago
- Neural network approximators of linear algebra operations on GPU with PyTorch☆17May 30, 2022Updated 3 years ago
- ☆12Dec 3, 2023Updated 2 years ago
- 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.
- Code to compute electronic and steric features to create a database of ligands and their properties☆18Jan 11, 2022Updated 4 years ago
- WorldQuant University Deep Learning for Computer Vision Certification Projects☆22Apr 3, 2025Updated 11 months ago
- ☆13Mar 17, 2019Updated 7 years ago
- weixin087基于微信小程序社区养老服务系统+ssm后端毕业源码案例设计☆13Jan 28, 2024Updated 2 years ago
- Electrochemical data analysis package☆16Jun 16, 2021Updated 4 years ago
- SPMS table of pseudopotentials☆21Jan 22, 2023Updated 3 years ago
- Site level energy system optimization model toolbox for investigations of EV fleet integration and management strategies☆13Apr 22, 2025Updated 11 months ago