Popular GitHub Repositories for Protein Drug Interactions

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

A Streamlit-powered Chat Assistant utilizing Ollama's DeepSeek-R1 (1.5B) model for intelligent, context-aware conversations. Designed with an interactive chat interface, adjustable model parameters. It leverages Ollama for local model serving and Streamlit for a responsive UI for text-based interactions.

Control GenAI interactions with power, precision, and consistency using LLM-native Conversation Design paradigms

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

InternLM-XComposer2.5-OmniLive: A Comprehensive Multimodal System for Long-term Streaming Video and Audio Interactions

Message Passing Neural Networks for Molecule Property Prediction

The Security Toolkit for LLM Interactions

List of papers about Proteins Design using Deep Learning

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

A selection of state-of-the-art research materials on trajectory prediction

A powerful and flexible machine learning platform for drug discovery

The first open-source Artificial Narrow Intelligence generalist agentic framework Computer-Using-Agent that fully operates graphical-user-interfaces (GUIs) by using only natural language. Uses Visualization-of-Thought and Chain-of-Thought reasoning to elicit spatial reasoning and perception, emulates, plans and simulates synthetic HID interactions.

A framework for comprehensive diagnosis and optimization of agents using simulated, realistic synthetic interactions

AI video agents framework for next-gen video interactions and workflows.

MELD: A Multimodal Multi-Party Dataset for Emotion Recognition in Conversation

List of Molecular and Material design using Generative AI and Deep Learning

Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

Python package for graph neural networks in chemistry and biology