PDD: Awesome Phenotypic Drug Discovery

Collection of papers for Molecular Representation using AI

The one model for genesis of peptide ligands

This project uses a Variational Autoencoder (VAE) to generate SMILES strings for novel compound generation. The VAE model is trained on a dataset of existing chemical compounds and can generate new, valid SMILES strings, which may represent potentially new and useful chemical entities.

CADD、AIDD学习笔记 AIDD notes

This is a model find optimized PARP1 inhibitor based on ORGANIC

Synthetic Accessibility via Fragment Assembly Generation

📁study logs about Drug Discovery with AI

a quantum AI drug design platform providing API and MCP server, powered QureGenAI

Deepeptide is a general-purpose AI-based pipeline for therapeutic oligopeptides discovery on various metabolic diseases.

An AI driven electronic laboratory notebook (ELN), It is designed to help researchers, chemists, and engineers record and organize experimental data efficiently.

An AIDD project for practice only with Target Neprilysin

A Deep Learning model for predicting chemical reaction yields, enabling faster reaction optimization and synthesis planning.

⚕️2024 Herbstsemester Applied Mathematics and Informatics in Drug Discovery @ UniBas

🚀 Production-ready starter template for AI-Driven Development projects. Pre-configured with AI agents, context management, and best practices.