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arneschneuing / DiffSBDD

A Euclidean diffusion model for structure-based drug design.

Python 372 83 Updated Oct 14, 2024

atomistic-machine-learning / G-SchNet

G-SchNet - a generative model for 3d molecular structures

Python 131 23 Updated Mar 24, 2023

raga-ai-hub / AgentNeo

Python SDK for Agent AI Observability, Monitoring and Evaluation Framework. Includes features like agent, llm and tools tracing, debugging multi-agentic system, self-hosted dashboard and advanced a…

TypeScript 3,215 92 Updated Dec 14, 2024