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SearchSearch 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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NVIDIA
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.
Container
NVIDIA
NVIDIA
MegaMolBART
A BART transformer language model trained on molecular SMILES strings
Model
NVIDIA
NVIDIA
MegaMolBART gPRC Service v0.1
A gRPC service to generate SMILES using MegaMolBART model.
Container
NVIDIA
NVIDIA
Cheminformatics v0.1
Script to download all images and models required for Cheminformatics tool
Resource
NVIDIA
NVIDIA
Contrastive KERMT
Contrastive KERMT v2.0 - graph-transformer foundation model for ADME property prediction
Model
Collection
NVIDIA
NVIDIA
Contrastive KERMT
Contrastive KERMT v2.0 - graph-transformer foundation model for ADMET property prediction
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