Intel MPI
Intel's implementation of the Message Passing Interface (MPI) library. See Intel Compilers for available compiler versions at OSC.
Software
Ruby
Ruby is a dynamic, open source programming language with a focus on simplicity and productivity.
Availability and Restrictions
Versions
The following versions of ruby are available on OSC clusters:
AlphaFold 3
AlphaFold 3 developed by DeepMind and Isomorphic Labs, is an advanced artificial intelligence system that predicts the 3D structures of proteins and their interactions with other molecules, including DNA, RNA, ligands, and ions.
Rust
Rust is a general-purpose programming language with an emphasis on performance, type safety, and concurrency. It enforces memory safety without a traditional garbage collector, preventing data races and memory safety errors via the "borrow checker". The Rust module provides rustc and cargo.
Availability and Restrictions
Versions
The following versions of Rust are available on OSC clusters:
Rosetta
Rosetta
Rosetta is a software suite that includes algorithms for computational modeling and analysis of protein structures. It has enabled notable scientific advances in computational biology, including de novo protein design, enzyme design, ligand docking, and structure prediction of biological macromolecules and macromolecular complexes.
CUDA Quantum
CUDA Quantum is a platform for developing quantum-classical applications that leverages NVIDIA's CUDA technology. This platform provides a framework to create and execute quantum algorithms on quantum processors while integrating with classical computing resources. It is designed to accelerate quantum computing tasks and support hybrid quantum-classical workflows, making it an essential tool for researchers and developers in the field of quantum computing.
MVAPICH
MVAPICH is a standard library for performing parallel processing using a distributed-memory model.
AutoDock
AutoDock is a a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock has applications in X-ray crystallography, structure-based drug design, lead optimization, etc.
Nextflow
Nextflow is a workflow system for creating scalable, portable, and reproducible workflows. Nextflow is based on the dataflow programming model which simplifies complex distributed pipelines.
Nodejs
Nodejs is used to create server-side web applications, and it is perfect for data-intensive applications since it uses an asynchronous, event-driven model
