From 45b4c99d53fd079946761a0413bc7d1ebff7f41c Mon Sep 17 00:00:00 2001 From: easybuild <easybuild@login1.barbora.it4i.cz> Date: Tue, 3 Oct 2023 12:45:02 +0200 Subject: [PATCH] Tue, 03 Oct 2023 12:45:02 +0200 --- barbora.csv | 2 ++ barbora.md | 2 +- 2 files changed, 3 insertions(+), 1 deletion(-) diff --git a/barbora.csv b/barbora.csv index 3d947b5e..4d41533f 100644 --- a/barbora.csv +++ b/barbora.csv @@ -1,5 +1,6 @@ Advisor/2021.4.0-GCCcore-10.3.0,2 AlphaFold/2.3.1-foss-2022a,2 +AlphaFold/2.3.4-foss-2022a-CUDA-11.7.0-ColabFold,2 Amber/20.11-foss-2020b-AmberTools-21.3,2 Amber/20.11-fosscuda-2020b-AmberTools-21.3,2 Anaconda3/2021.05,2 @@ -955,6 +956,7 @@ OpenBLAS/0.3.21-GCC-12.2.0,2 OpenBLAS/0.3.9-GCC-9.3.0,2 OpenFOAM/9-foss-2021a,2 OpenMM/8.0.0-foss-2022a,2 +OpenMM/8.0.0-foss-2022a-CUDA-11.7.0,2 OpenMolcas/23.06-intel-2022a,2 OpenMPI/3.1.4-GCC-10.2.0,2 OpenMPI/4.0.3-GCC-9.3.0,2 diff --git a/barbora.md b/barbora.md index 224124ae..2bc64288 100644 --- a/barbora.md +++ b/barbora.md @@ -3,7 +3,7 @@ | Module | Description | | ------ | ----------- | -| [AlphaFold](https://deepmind.com/research/case-studies/alphafold) | AlphaFold can predict protein structures with atomic accuracy even where no similar structure is known | +| [AlphaFold](https://github.com/sokrypton/alphafold) | AlphaFold can predict protein structures with atomic accuracy even where no similar structure is known. This package of AlphaFold contains patches for ColabFold. | | [Biopython](https://www.biopython.org) | Biopython is a set of freely available tools for biological computation written in Python by an international team of developers. It is a distributed collaborative effort to develop Python libraries and applications which address the needs of current and future work in bioinformatics. | | [BLAST](http://blast.ncbi.nlm.nih.gov/) | Basic Local Alignment Search Tool, or BLAST, is an algorithm for local_comparing primary biological sequence information, such as the amino-acid sequences of different proteins or the nucleotides of DNA sequences. | | [BWA](http://bio-bwa.sourceforge.net/) | Burrows-Wheeler Aligner (BWA) is an efficient program that aligns relatively short nucleotide sequences against a long reference sequence such as the human genome. | -- GitLab