kaibinary
kaibinary
Application: ImageMagick Link: https://imagemagick.org/script/download.php Cluster: Myriad Description: A dependency for [GSVA](https://github.com/rcastelo/GSVA) and [imcRtools](https://github.com/BodenmillerGroup/imcRtools) License: https://imagemagick.org/script/license.php
GPAW is a density-functional theory (DFT) [Python](https://www.python.org/) code based on the projector-augmented wave ([PAW](https://wiki.fysik.dtu.dk/gpaw/documentation/introduction_to_paw.html#introduction-to-paw)) method and the atomic simulation environment ([ASE](https://wiki.fysik.dtu.dk/ase)). Application: [GPAW version 24.6.0](https://wiki.fysik.dtu.dk/gpaw/releasenotes.html#releasenotes) Link: https://gitlab.com/gpaw/gpaw Cluster: Young License:...
[Request #1284496](https://myservices.ucl.ac.uk/requests/1284496/) Link: https://orcaforum.kofo.mpg.de/app.php/portal Cluster: Young ORCA 6.0 was released last month and is available via [Spack](https://packages.spack.io/package.html?name=orca). Can potentially be released as part of https://github.com/UCL-ARC/hpc-spack/issues/44. Related request: https://github.com/UCL-RITS/rcps-buildscripts/issues/474
Application: Miniforge Release 24.3.0-0 Link: https://github.com/conda-forge/miniforge Cluster: ARC Clusters Description: Managing Conda environments. License: open source, [BSD-3-Clause](https://github.com/conda-forge/miniforge/blob/main/LICENSE) The `default` channel that comes with Anaconda and Miniconda is no longer free...
Application: CESM 2.1.5 Link: https://www.cesm.ucar.edu/models/cesm2 Cluster: Myriad Description: The Community Earth System Model is a fully coupled global climate model developed in collaboration with colleagues in the research community. CESM...
Application: Octopus 15.1 Link: https://octopus-code.org/documentation/15/ Cluster: Young Description: A real-space finite-difference (time-dependent) density-functional theory code. License: open source, GPL-licensed. Special versions or variants: +cuda +libvdwxc +berkeleygw Only up to version...
Application: Rosetta 2024.09 Link: https://downloads.rosettacommons.org/downloads/academic/2024/wk09/ Cluster: Myriad Description: Rosetta is a comprehensive software suite for modeling macromolecular structures. As a flexible, multi-purpose application, it includes tools for structure prediction, design,...
Application: [NWChem 7.2.3](https://github.com/nwchemgit/nwchem/releases/tag/v7.2.3-release) Link: https://github.com/nwchemgit/nwchem/releases Cluster: Young Description: The NWChem software contains computational chemistry tools that are scalable both in their ability to efficiently treat large scientific problems, and in...
Application: Cell Ranger ARC Link: https://www.10xgenomics.com/support/software/cell-ranger-arc/latest Cluster: Myriad Description: Cell Ranger ARC is an advanced analytical suite designed for the Chromium Single Cell Multiome ATAC + Gene Expression sequencing. It...