IQmol is a molecular visualization tool used to view, analyze, and create high-quality 3D images of chemical systems, including small molecules and quantum chemistry results.
The following versions of IQmol are available on OSC clusters:
Code Server provides a browser-based instance of Visual Studio Code, enabling users to write, edit, and run code directly on OSC cluster resources without local installation.
PyMOL is a molecular visualization tool used to view, analyze, and create high-quality 3D images of biological molecules like proteins and DNA.
The following versions of PyMOL are available on OSC clusters:
OpenAI Python is the package used by python to access OpenAI's Ai models. OpenAI python provides support for OpenAI's REST API, It also provides synchronous and asynchronous sessions clients.
OpenAI python is currently available on the following clusters.
It is now possible to run Docker and Apptainer/Singularity containers on all clusters at OSC. Single-node jobs are currently supported, including GPU jobs; MPI jobs are planned for the future.
From the Docker website: "A container image is a lightweight, stand-alone, executable package of a piece of software that includes everything needed to run it: code, runtime, system tools, system libraries, settings."
Podman is an Open Containers Initiative (OCI)‑compliant, daemonless and rootless container tool developed by Red Hat. Unlike Docker, Podman operates without a central daemon and supports secure rootless execution, making it well‑suited for HPC environments and schedulers such as Slurm.
Podman is available on all OSC clusters. Only one version is available at any given time. To find out the current version:
Intel's implementation of the Message Passing Interface (MPI) library. See Intel Compilers for available compiler versions at OSC.
Ruby is a dynamic, open source programming language with a focus on simplicity and productivity.
The following versions of ruby are available on OSC clusters:
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 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:
