An accurate and trainable end-to-end protein-ligand docking framework

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.

Dify is an open-source LLM app development platform. Dify's intuitive interface combines AI workflow, RAG pipeline, agent capabilities, model management, observability features and more, letting yo…

Python PyPi staging server and packaging, testing, release tool

The Python Package Index

User-friendly Desktop Client App for AI Models/LLMs (GPT, Claude, Gemini, Ollama...)

Get up and running with Llama 3.3, DeepSeek-R1, Phi-4, Gemma 3, and other large language models.

A GUI Agent application based on UI-TARS(Vision-Language Model) that allows you to control your computer using natural language.

Make websites accessible for AI agents

Repository to host supporting information and code samples for Accelerated DFT

Simple, unified interface to multiple Generative AI providers

A trainable PyTorch reproduction of AlphaFold 3.

A Cuda/Thrust implementation of fingerprint similarity searching

Making Protein folding accessible to all!

Canonical source repository for PyYAML

Python job scheduling for humans.

Checkpoint and Restore in Kubernetes

A lightweight, multi-tenant, scalable and secure gateway that enables Jupyter Notebooks to share resources across distributed clusters such as Apache Spark, Kubernetes and others.

This Custom Keycloak REST API provides an extra endpoint to request a token that can override default configuration.

🥑 Language focused docker images, minus the operating system.

Hera makes Python code easy to orchestrate on Argo Workflows through native Python integrations. It lets you construct and submit your Workflows entirely in Python. ⭐️ Remember to star!

A toolkit to run Ray applications on Kubernetes

Go Bindings for CRIU

Checkpoint/Restore tool

BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.

Freeze (package) Python programs into stand-alone executables

Nuitka is a Python compiler written in Python. It's fully compatible with Python 2.6, 2.7, 3.4-3.13. You feed it your Python app, it does a lot of clever things, and spits out an executable or exte…

Docker and OCI Registry Client in Go and tooling using those libraries.