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.
Bioinformatics & Biology
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.
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.
Tinker
Tinker is a molecular modeling package. Tinker provides a general set of tools for molecular mechanics and molecular dynamics.
Clara Parabricks
Clara Parabricks is a powerful toolkit designed for genomic analysis. It is primarily designed for GPU computation.
Cell Ranger
Cell Ranger is a cell analysis library for generate feature-barcode matrices, perform Analysis for RNA samples. Cell Ranger works in pipelines for it's RNA sequencing analysis which allows it to: process raw sequencing output, read alignment, generate gene-cell matrices, and can perform downstream analyses such as clustering and gene expression analysis.
OpenCV
OpenCV is an open-source library that includes several hundreds of computer vision algorithms.
MotionCor2
MotionCor2 uses multi-GPU acceleration to correct anisotropic cryo-electron microscopy images at the single pixel level across the whole frame, making it suitable for single particle and tomographic images. Iterative, patch-based motion detection is combined with spatial and temporal constraints and dose weighting.
Availability and Restrictions
Versions
The following versions are available on OSC clusters:
HMMER
HMMER is used for searching sequence databases for sequence homologs, and for making sequence alignments. It implements methods using probabilistic models called profile hidden Markov models (profile HMMS). HMMER is designed to detect remote homologs as sensitively as possible, relying on the strength of its underlying probability models.
Availability and Restrictions
Versions
HMMER is available on the OSC clusters. These are the versions currently available:
AlphaFold
AlphaFold is a software package that provides an implementation of the inference pipeline of AlphaFold v2.0. This is a completely new model that was entered in CASP14 and pusblished in Nature.
