Ascend
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.
CUDA 12.4.1 is now available on Ascend
CUDA 12.4.1 is now available on Ascend via module load cuda/12.4.1
AlphaFold 2.1.0 now available on Ascend
AlphaFold 2.1.0 is now available on Ascend via module load alphafold/2.1.0
AlphaFold 2.1.2 now available on Ascend
AlphaFold 2.1.2 is now available on Ascend via module load alphafold/2.1.2
Ruby/3.3.6 is now available on Ascend
HOWTO: Use Jupyter on OnDemand
This page outlines how to use the Jupyter interactive app on OnDemand.
Launching Jupyter App
Log on to https://ondemand.osc.edu/ with your OSC credentials. Choose Jupyter under the InteractiveApps option.
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.