GPU-enabled

Topaz

Topaz is a software package for particle detection and image denoising in cryo-electron microscopy (cryo-EM) that uses convolutional neural networks.

IQmol

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.

Availability and Restrictions

Versions

The following versions of IQmol are available on OSC clusters:

Code Server

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

PyMOL is a molecular visualization tool used to view, analyze, and create high-quality 3D images of biological molecules like proteins and DNA.

Availability and Restrictions

Versions

The following versions of PyMOL are available on OSC clusters:

Ollama

Ollama is an open-source inference server for large language models (LLMs).  This module also includes Open-WebUI, which provides an easy-to-use web interface.

NCCL

The NVIDIA Collective Communication Library (NCCL) implements multi-GPU and multi-node communication primitives optimized for NVIDIA GPUs and Networking. NCCL provides routines such as all-gather, all-reduce, broadcast, reduce, reduce-scatter as well as point-to-point send and receive that are optimized to achieve high bandwidth and low latency over PCIe and NVLink high-speed interconnects within a node and over NVIDIA Mellanox Network across nodes.

PyTorch

 PyTorch is an open source machine learning framework with GPU acceleration and deep neural networks that is based on the automatic differentiation in the Torch library of tensors.

VMD

VMD is a visulaization program for the display and analysis of molecular systems.

Availability and Restrictions

Versions

The following versions of VMD are available on OSC clusters:

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