Accelerate AI-Powered Drug Discovery With NVIDIA BioNeMo

Опубликовано 21 марта 2023, 16:22

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NVIDIA BioNeMo is a cloud service for generative AI in early drug discovery focusing on proteins and small molecules. BioNeMo can be accessed through a web interface or API endpoints and outputs can be visualized and downloaded. AI models in BioNeMo can be further fine-tuned and trained on customers’ proprietary data on DGX Cloud.

Nine AI biomolecular models are now accessible in one place:

- 3D protein structure prediction: DeepMind’s AlphaFold2, OpenFold, Meta’s ESMFold
-Protein property prediction: Meta’s ESM-2 and ESM-1nv based on Meta’s ESM-1
-Small molecule generation: AstraZeneca's MegaMolBART and Weill Cornell Medicine’s MoFlow
-Protein generation: ISMB and University of Bayreuth’s ProtGPT2
-Molecular docking: MIT Jameel Clinic’s DiffDock

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#GenerativeAI #DrugDiscovery #BioNeMo