Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Code for the ProteinMPNN paper

🤗 PEFT: State-of-the-art Parameter-Efficient Fine-Tuning.

A deep learning framework for molecular docking

An awesome browser extension that reads aloud webpage content with one click

MMseqs2 app to run on your workstation or servers

aria2 is a lightweight multi-protocol & multi-source, cross platform download utility operated in command-line. It supports HTTP/HTTPS, FTP, SFTP, BitTorrent and Metalink.

An interactive NVIDIA-GPU process viewer and beyond, the one-stop solution for GPU process management.

MMseqs2: ultra fast and sensitive search and clustering suite

ColabFold on your local PC

A library of free open source icons for science illustrations in biology and chemistry

Making Protein folding accessible to all!

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

This is the template I use to start new full-stack projects.

Official repository for the Boltz-1 biomolecular interaction model

Fast and memory-efficient exact attention

Enhanced ChatGPT Clone: Features Agents, DeepSeek, Anthropic, AWS, OpenAI, Assistants API, Azure, Groq, o1, GPT-4o, Mistral, OpenRouter, Vertex AI, Gemini, Artifacts, AI model switching, message se…

NVIDIA Ingest is an early access set of microservices for parsing hundreds of thousands of complex, messy unstructured PDFs and other enterprise documents into metadata and text to embed into retri…

AlphaFold 3 inference pipeline.

Define and run multi-container applications with Docker

An extremely fast Python package and project manager, written in Rust.

Cross-platform, fast, feature-rich, GPU based terminal

Python disk-backed cache (Django-compatible). Faster than Redis and Memcached. Pure-Python.

Practical Cheminformatics Tutorials

a Hassle-Free Python Experience

QSARtuna: QSAR model building with the optuna framework

Molecular Processing Made Easy.

Python package for graph neural networks in chemistry and biology