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Deep Agents is an agent harness built on langchain and langgraph. Deep Agents are equipped with a planning tool, a filesystem backend, and the ability to spawn subagents - making them well-equipped…

Python 8,758 1,379 Updated Feb 1, 2026

ATLAS: Software Engineer AI Agent. Living memory persists. Learning compounds. Every commit evolves it. Professional focus. KISS/YAGNI/DRY and Depend on Context. No overengineering. Clean code and …

Shell 275 54 Updated Jan 17, 2026

This is a simple demonstration of more advanced, agentic patterns built on top of the Realtime API.

TypeScript 6,741 1,067 Updated Jan 7, 2026

📄 Configuration files that enhance Cursor AI editor experience with custom rules and behaviors

MDX 37,540 3,187 Updated Oct 24, 2025

Collection of awesome LLM apps with AI Agents and RAG using OpenAI, Anthropic, Gemini and opensource models.

Python 91,565 13,227 Updated Feb 1, 2026

A Python package for processing molecules with RDKit in scikit-learn

Jupyter Notebook 213 13 Updated Jan 28, 2026

Deep learning for protein science

Python 38 5 Updated Jun 2, 2024

A generative model for programmable protein design

Python 794 109 Updated Apr 11, 2024

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

Jupyter Notebook 654 167 Updated Aug 12, 2024

Generative Language Modeling for Antibody Design

Python 180 31 Updated Oct 5, 2024

A list of manuscripts/tools using diffusion on biological enttieis

98 6 Updated Oct 5, 2023

bio-transformers is a wrapper on top of the ESM/Protbert model, trained on millions on proteins and used to predict embeddings.

Python 154 32 Updated Oct 11, 2023

Python code for "Probabilistic Machine learning" book by Kevin Murphy

Jupyter Notebook 7,000 1,606 Updated Nov 30, 2025

The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

Python 317 52 Updated Jan 10, 2024

Physicochemical properties, indices and descriptors for amino-acid sequences.

Python 113 18 Updated Sep 4, 2025

python tools for TCR:peptide-MHC modeling and analysis

Python 88 13 Updated Apr 12, 2024

insitro's repository for public research code and data

Jupyter Notebook 24 11 Updated Dec 1, 2025

Sandbox for Deep-Learning based Computational Protein Design

Python 120 10 Updated Dec 11, 2025

PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods

Python 204 81 Updated Sep 22, 2023

List of papers about Proteins Design using Deep Learning

1,875 217 Updated Jan 31, 2026

A playbook for systematically maximizing the performance of deep learning models.

29,739 2,411 Updated Jun 18, 2024
Python 7 2 Updated Mar 27, 2025

Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over searching structure/activity relationships (SAR) derived from la…

Python 66 11 Updated Feb 21, 2024

Synthesis generative model

Python 48 4 Updated Apr 24, 2025

Versatile computational pipeline for processing protein structure data for deep learning applications.

Python 272 17 Updated Feb 14, 2024

BayesOpt + LIFT

Jupyter Notebook 74 13 Updated May 15, 2025

Making large AI models cheaper, faster and more accessible

Python 41,336 4,539 Updated Jan 19, 2026

Code for running RFdiffusion

Python 2,724 566 Updated Nov 20, 2025

GPT4All: Run Local LLMs on Any Device. Open-source and available for commercial use.

C++ 77,069 8,310 Updated May 27, 2025
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