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Search thousands of GPU-optimized Containers, pretrained Models, SDKs, and Helm charts—ready to accelerate AI, digital twins, and HPC from cloud to edge.
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Accelerate custom generative AI app deployment using pre-built containers with optimized AI models.
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Chemistry
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NVIDIA
Cheminformatics Demo
Real-time interactive search of chemical space is useful in the pursuit of novel chemical entities. This application demonstrates searching, screening, and organizing a large chemical database of compounds.
Clara
Healthcare
Container
>4y
Updated
09/14/2021 UTC
NVIDIA
MegaMolBART gPRC Service v0.1
A gRPC service to generate SMILES using MegaMolBART model.
Clara
Healthcare
Container
>4y
Updated
09/14/2021 UTC
NVIDIA
MegaMolBART
A BART transformer language model trained on molecular SMILES strings
Model
20mo
Updated
11/27/2024 UTC
NVIDIA
Cheminformatics v0.1
Script to download all images and models required for Cheminformatics tool
Healthcare
Resource
>3y
Updated
04/04/2023 UTC
Collection
NVIDIA
HPC Collection
This collection provides access to the top HPC applications for Molecular Dynamics, Quantum Chemistry, and Scientific visualization.
4
Container
17mo
Updated
03/14/2025 UTC
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