NVIDIA NeMo Megatron Integrations

BioNeMo is an AI-powered drug discovery cloud service and framework built on NVIDIA NeMo Megatron for training and deploying large biomolecular transformer AI models at a supercomputing scale. The service includes pre-trained large language models (LLMs) and native support for common file formats for proteins, DNA, RNA, and chemistry, providing data loaders for SMILES for molecular structures and FASTA for amino acid and nucleotide sequences. The BioNeMo framework will also be available for download for running on your own infrastructure. ESM-1, based on Meta AI’s state-of-the-art ESM-1b, and ProtT5 are transformer-based protein language models that can be used to generate learned embeddings for tasks like protein structure and property prediction. OpenFold, a deep learning model for 3D structure prediction of novel protein sequences, will be available in BioNeMo service.

Amazon SageMaker Model Training reduces the time and cost to train and tune machine learning (ML) models at scale without the need to manage infrastructure. You can take advantage of the highest-performing ML compute infrastructure currently available, and SageMaker can automatically scale infrastructure up or down, from one to thousands of GPUs. Since you pay only for what you use, you can manage your training costs more effectively. To train deep learning models faster, SageMaker distributed training libraries can automatically split large models and training datasets across AWS GPU instances, or you can use third-party libraries, such as DeepSpeed, Horovod, or Megatron. Efficiently manage system resources with a wide choice of GPUs and CPUs including P4d.24xl instances, which are the fastest training instances currently available in the cloud. Specify the location of data, indicate the type of SageMaker instances, and get started with a single click.