AMI stands for Amazon Machine Image, which is a pre-configured virtual machine image used to create EC2 instances in AWS. An AMI contains all the information needed to launch an EC2 instance, including the operating system, application server, and any other software required to run an application.
There are several AMIs available on AWS that are optimized for chemoinformatics workloads. Here are some popular options:
- ChemCompute: ChemCompute is an AMI developed by the National Institutes of Health (NIH) that is pre-configured with several chemoinformatics tools and databases, including RDKit, Open Babel, and ChemAxon. It also includes several programming languages and environments, including Python and Jupyter Notebooks, making it a good choice for cheminformatics research and analysis.
- Schrödinger Suite: Schrödinger Suite is a pre-configured environment for molecular modeling and simulations. It includes several chemoinformatics tools and databases, as well as tools for molecular dynamics simulations and structure-based drug design.
- AMI for Chemical Modeling and Visualization: This AMI is provided by AWS and is pre-configured with several chemoinformatics tools and frameworks, including Open Babel, Avogadro, and PyMOL. It also includes several programming languages, including Python and R, making it a good choice for chemoinformatics research and analysis.
- Pipeline Pilot: Pipeline Pilot is a cloud-based platform for data analysis and visualization in the life sciences, including cheminformatics. It includes several chemoinformatics tools and workflows, as well as tools for data processing and visualization.
- MolSSI Software Stack: The MolSSI (Molecular Sciences Software Institute) Software Stack is a pre-configured environment for computational chemistry and materials science. It includes several chemoinformatics tools and frameworks, including MDTraj, Psi4, and Q-Chem.
These are just a few of the many AMIs available on AWS for chemoinformatics workloads. It’s important to choose an AMI that meets your specific requirements and provides the tools and frameworks you need for your research or application.