MCP Server (Model Context Protocol) for turning OpenAPI specifications into a MCP Resource

Curated list of AI-powered developer tools.

A framework-less approach to robust agent development.

Predict materials properties using only the composition information!

🧠 Cognitive Load is what matters

Python Sorted Container Types: Sorted List, Sorted Dict, and Sorted Set

Bare metal to production ready in mins; your own fly server on your VPS.

Tools for machine learnt interatomic potentials

Public user registration handler for a self-hosted Overleaf instance

Efficient And Fully Differentiable Extended Tight-Binding

The best free and open-source automated time tracker. Cross-platform, extensible, privacy-focused.

A conda-smithy repository for lammps.

Zulip server and web application. Open-source team chat that helps teams stay productive and focused.

Make awesome display tables using Python

REST API for any Postgres database

Panel: The powerful data exploration & web app framework for Python

A curated list of awesome Jupyter widget packages and projects

Tantivy is a full-text search engine library inspired by Apache Lucene and written in Rust

Convert any PDF into a podcast episode!

High accuracy RAG for answering questions from scientific documents with citations

Prototype of a graphical user interface for pyiron (unstable)

List of Geometric GNNs for 3D atomic systems

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.

Session manager and task runner for tmux. Start your development environment within one command.

Workflows for Turbomole

GEKKO Python for Machine Learning and Dynamic Optimization

Run your GitHub Actions locally 🚀