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Drug Design
:electron:
Drug Design

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@devhunterco @secbi-ucc @MonteriaJS @fastfold-ai

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Showing results

One protein is all you need

Jupyter Notebook 41 7 Updated Oct 24, 2025

LABind: Identifying Protein Binding Ligand-Aware Sites via Learning Interactions Between Ligand and Protein

Python 9 2 Updated Aug 21, 2025

The best ChatGPT that $100 can buy.

Python 32,440 3,534 Updated Oct 24, 2025

LLMs for high-throughput mining and generation of antimicrobial peptides

Python 12 4 Updated Oct 10, 2025

Python interface for RCSB.org API services

Python 51 8 Updated Oct 10, 2025
Jupyter Notebook 8 1 Updated Jul 10, 2025
Python 887 67 Updated Oct 24, 2025

React Flow | Svelte Flow - Powerful open source libraries for building node-based UIs with React (https://reactflow.dev) or Svelte (https://svelteflow.dev). Ready out-of-the-box and infinitely cust…

TypeScript 33,344 2,163 Updated Oct 23, 2025

Mixed continous/categorical flow-matching model for de novo molecule generation.

Python 166 19 Updated Sep 3, 2025

The package of ProBuilder from Longxing Cao lab

C++ 10 3 Updated Jul 27, 2025

Inference code for RFdiffusion2

Python 311 40 Updated Oct 23, 2025

Public repo for rbio, a biologically-informed reasoning model trained on virtual cell models as verifiers

Python 107 13 Updated Sep 4, 2025

High accuracy RAG for answering questions from scientific documents with citations

Python 7,776 778 Updated Oct 24, 2025

MCP server to provide Figma layout information to AI coding agents like Cursor

TypeScript 11,399 917 Updated Oct 14, 2025

AI Agents & MCPs & AI Workflow Automation • (~400 MCP servers for AI agents) • AI Automation / AI Agent with MCPs • AI Workflows & AI Agents • MCPs for AI Agents

TypeScript 18,854 2,840 Updated Oct 25, 2025

Fair-code workflow automation platform with native AI capabilities. Combine visual building with custom code, self-host or cloud, 400+ integrations.

TypeScript 151,654 48,327 Updated Oct 24, 2025

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Python 910 335 Updated Oct 22, 2025

Open-source platform to build and deploy AI agent workflows.

TypeScript 17,319 2,263 Updated Oct 25, 2025

🦉 OWL: Optimized Workforce Learning for General Multi-Agent Assistance in Real-World Task Automation

Python 18,242 2,115 Updated Sep 24, 2025

🐫 CAMEL: The first and the best multi-agent framework. Finding the Scaling Law of Agents. https://www.camel-ai.org

Python 14,611 1,600 Updated Oct 25, 2025

Energy-guided binder design pipeline built on BindCraft

Python 13 3 Updated Jun 6, 2025

Silica team repo for BioML hackathon

Jupyter Notebook 6 4 Updated Oct 25, 2024

This API provides programmatic access to the AlphaGenome model developed by Google DeepMind.

Python 1,272 153 Updated Oct 23, 2025

Kortix – build, manage and train AI Agents. Fully Open Source.

TypeScript 18,424 3,137 Updated Oct 25, 2025

STORMM: Structure and TOpology Replica Molecular Mechanics

C++ 80 10 Updated Sep 11, 2025

GUI for Boltz

JavaScript 27 4 Updated Jun 11, 2025
Rich Text Format 11 4 Updated Sep 10, 2025

Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.

Python 167 31 Updated Sep 19, 2025

Biomni: a general-purpose biomedical AI agent

Python 2,278 371 Updated Oct 20, 2025
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