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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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NVIDIA NIM
NVIDIA NIM
Accelerate custom generative AI app deployment using pre-built containers with optimized AI models.
NVIDIA NIM
12
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A100 SXM4 80GB
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Automatic Speech Recognition
119
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22
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15
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13
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11
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10
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10
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8
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8
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8
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8
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5
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4
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4
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3
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2
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1
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1
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1
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22
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6
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Drug Discovery
Use Case: Drug Discovery
Clear Filters
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
Nvidia
NVIDIA NIM for GenMol
GenMol is a masked diffusion model trained on molecular SAFE representations for fragment-based molecule generation, which can serve as a generalist model for various drug discovery tasks.
AI
Drug Discovery
+5
Healthcare
Inference
Life Sciences
NVIDIA AI
PyTorch
Container
2mo
Updated
05/07/2026 UTC
NVIDIA
NVIDIA HPC SDK
The NVIDIA HPC SDK is a comprehensive suite of compilers, libraries and tools essential to maximizing developer productivity and the performance and portability of HPC applications.
Academia / Higher Education
Aerospace
+14
Application Development
Developer Tools
Drug Discovery
Energy
Genome Sequencing
GPU Accelerated Libraries
High Performance Computing
HPC / Supercomputing
HPC SDK
Life Sciences
Manufacturing
OpenACC Programming Model
Physics and Dynamics Simulation
Simulation and Modeling
Container
1mo
Updated
07/06/2026 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
MIT
DiffDock
Diffdock predicts the 3D structure of the interaction between a molecule and a protein.
AI
CUDA
+10
CUDA Toolkit
Drug Discovery
Healthcare
Inference
Life Sciences
NVIDIA AI
PyTorch
PyTorch Geometric
RAPIDS
Triton Inference Server
Container
4w
Updated
07/10/2026 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
Google
AlphaFold2
A widely used model for predicting the 3D structures of proteins from their amino acid sequences.
Clara
Drug Discovery
+4
Genome Sequencing
Genomics
Healthcare
Life Sciences
Container
8mo
Updated
11/06/2025 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
NVIDIA
MolMIM
MolMIM is a transformer-based model developed by NVIDIA for controlled small molecule generation.
AI
Clara
+4
Drug Discovery
Healthcare
Life Sciences
NeMo
Container
8mo
Updated
11/06/2025 UTC
NVIDIA
NVIDIA Parabricks
NVIDIA Parabricks is an accelerated compute framework that supports applications across the genomics industry, primarily supporting analytical workflows for DNA, RNA, and somatic mutation detection applications.
Drug Discovery
Genome Sequencing
+7
Genomics
Healthcare
High Performance Computing
HPC
HPC / Supercomputing
Life Sciences
NVIDIA AI
Container
1mo
Updated
06/30/2026 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
NVIDIA
OpenFold2
OpenFold2 is a protein structure prediction model from the OpenFold Consortium and the Alquraishi Laboratory.
Drug Discovery
Container
1mo
Updated
06/23/2026 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
ipd
RFdiffusion
Generates new protein structures (binder designs, motif scaffoldings, etc.)
A100 SXM4 80GB
A10G
+7
Clara
Drug Discovery
GB200
H100 80GB HBM3
Healthcare
L40S
Life Sciences
Container
4mo
Updated
04/02/2026 UTC
ColabFold
msa-search
The Multiple Sequence Alignment (MSA) Search NIM enables protein structure prediction models by providing fast, accurate sequence alignments of a query amino acid sequence against large databases of known proteins.
Drug Discovery
Container
5h
Updated
08/07/2026 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
arc
Evo 2 40B
Evo 2 is a biological foundation model that is able to integrate information over long genomic sequences.
Drug Discovery
Genomics
+2
Healthcare
Life Sciences
Container
8mo
Updated
11/06/2025 UTC
NVIDIA
BioNeMo Framework
BioNeMo Framework for running training and inference on large scale bio-based models.
AI
Clara
+4
Drug Discovery
Healthcare
Life Sciences
NeMo
Container
9mo
Updated
10/30/2025 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
Google
AlphaFold2-Multimer
A widely used model for predicting the 3D structures of proteins from their amino acid sequences. This version of the container supports multimers, i.e. proteins made up of 2 or more polypeptide chains.
Clara
Drug Discovery
+5
Genome Sequencing
Genomics
Healthcare
Life Sciences
Synthetic Data Generation
Container
8mo
Updated
11/06/2025 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
arc
Evo 2
Evo 2 is a biological foundation model that is able to integrate information over long genomic sequences.
Drug Discovery
Genomics
+2
Healthcare
Life Sciences
Container
8mo
Updated
11/06/2025 UTC
—
ESM-1nv
A NeMo Megatron BERT based model trained on protein sequences.
Clara
DL
+3
Drug Discovery
Healthcare
NeMo
Model
>2y
Updated
11/27/2023 UTC
UIUC
NAMD
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
Academia / Higher Education
Drug Discovery
+4
Healthcare
High Performance Computing
HPC
HPC / Supercomputing
Container
7mo
Updated
12/12/2025 UTC
NVIDIA
ESM-2nv 3B
A 3 Billion parameter BERT based model that has model weights converted from Huggingface into NeMo Framework.
Clara
DL
+3
Drug Discovery
Healthcare
NeMo
Model
12mo
Updated
07/17/2025 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
NVIDIA
ALCHEMI Batched Molecular Dynamics
Atomistic Molecular Dynamics NIM with machine learning interatomic potentials.
Drug Discovery
Graph Neural Networks
+6
High Performance Computing
HPC / Supercomputing
Physics and Dynamics Simulation
PyTorch
Simulation and Modeling
Triton Inference Server
Container
4mo
Updated
03/19/2026 UTC
NVIDIA Developer Program
+1
NVIDIA AI Enterprise
NVIDIA
ALCHEMI Batched Geometry Relaxation NIM
Atomistic Geometry Optimization/Relaxation NIM with machine learning interatomic potentials.
Academia / Higher Education
Drug Discovery
+6
Graph Neural Networks
High Performance Computing
HPC / Supercomputing
Physics and Dynamics Simulation
PyTorch
Simulation and Modeling
Container
4mo
Updated
03/19/2026 UTC
NVIDIA
ESM-2nv 650M
A 650 million parameter BERT model that has model weights converted from Huggingface into NeMo Framework.
Clara
DL
+3
Drug Discovery
Healthcare
NeMo
Model
12mo
Updated
07/17/2025 UTC
NVIDIA
ProtT5nv
A T5 model developed using the BioNeMo framework starting from a model pre-trained on NLP data from NeMo Framework.
Clara
DL
+3
Drug Discovery
Healthcare
NeMo
Model
20mo
Updated
11/12/2024 UTC
NVIDIA
EquiDock DB5
EquiDock is an SE(3)-equivariant model that can predict protein-protein complex formation from two invidual proteins.
Clara
DL
+3
Drug Discovery
Healthcare
NeMo
Model
>2y
Updated
01/18/2024 UTC
NVIDIA
EquiDock DIPS Model
EquiDock is an SE(3)-equivariant model that can predict protein-protein complex formation from two invidual proteins.
Clara
DL
+3
Drug Discovery
Life Sciences
NeMo
Model
>2y
Updated
01/18/2024 UTC
NVIDIA
OpenFold
OpenFold predicts protein structures from protein sequence inputs and optional multiple sequence alignments (MSAs) and template(s).
Clara
DL
+3
Drug Discovery
Healthcare
NeMo
Model
20mo
Updated
11/12/2024 UTC
NVIDIA
DNABERT
DNABERT generates a dense representation of a genome sequence by identifying contextually similar sequences in the human genome.
Clara
DL
+3
Drug Discovery
Healthcare
NeMo
Model
20mo
Updated
11/12/2024 UTC
24
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