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.
The following versions of Rust are available on OSC clusters:
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 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 is a standard library for performing parallel processing using a distributed-memory model.
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 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 is used to create server-side web applications, and it is perfect for data-intensive applications since it uses an asynchronous, event-driven model
Mathematica is a mathematical computation program. It is capable in many areas of technical computing including but not limited to neural networks, machine learning, image processing, geometry, data science and visualizations.
NVHPC, or NVIDIA HPC SDK, C, C++, and Fortran compilers support GPU acceleration of HPC modeling and simulation applications with standard C++ and Fortran, OpenACC® directives, and CUDA®. GPU-accelerated math libraries maximize performance on common HPC algorithms, and optimized communications libraries enable standards-based multi-GPU and scalable systems programming. Performance profiling and debugging tools simplify porting and optimization of HPC applications, and containerization tools enable easy deployment on-premises or in the cloud.
Clara Parabricks is a powerful toolkit designed for genomic analysis. It is primarily designed for GPU computation.
