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arneschneuing / DiffSBDD

A Euclidean diffusion model for structure-based drug design.

Python 418 97 Updated Feb 24, 2025

atomistic-machine-learning / G-SchNet

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

Python 135 23 Updated Mar 24, 2023

raga-ai-hub / RagaAI-Catalyst

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…

Python 16,188 3,776 Updated May 19, 2025