Search Results for "compute"
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Showing 28 open source projects for "compute"
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Protenix
A trainable PyTorch reproduction of AlphaFold 3
...PDB/CIF) into full 3D atomic-level structure predictions. It supports both āfullā models and lightweight variants such as āProtenix-Mini,ā offering a trade-off between speed/compute cost and predictive accuracy ā making structure prediction accessible even in resource-constrained environments. The project also includes support for constraints (e.g., specifying residue- or atom-level contact constraints, or pocket constraints) to guide predictions toward biologically or experimentally relevant conformations, which enhances its utility for tasks like modeling complexes, ligands, or antibodyāantigen interactions. -
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YeastpRofileSpearman
Software to calculate profiles around TSS and TTS of yeast mRNAs
...The data of TSS and TTS counts used to compute the cross-correlation profiles were taken from the work of Pelechano et al. (1). The input file must be a BedGraph formatted file based on yeast genome sequence release R64. The output file is a text tab-delimited table reporting Rs values for the various shifts of variable coordinates with respect to TSS or TTS. 1) V. Pelechano et al., Nature, 497 (2013) 127-13. -
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SPIRE
A tool to compute projections of membrane structures
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MPI-dot2dot
A Parallel Tool to Find DNA Tandem Repeats on Multicore Clusters
MPI-dot2dot is a parallel tool to accelerate the identification of Tandem Repeats on multisequence datasetes. This tool receives as input a multisequence file with FASTQ or FASTA formats. It uses MPI processes and OpenMP threads to exploit the compute capabilities of multicore clusters. -
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YeastpRofile
Software to calculate profiles around TSS and TTS of yeast mRNAs
YeastpRofile is a portable Windows form application, written in C#, to compute the profile of a genomic variable around transcription start (TSS) and termination (TTS) sites of yeast mRNAs. The profile is obtained by calculating the genome-wide Pearson correlation coefficient (R) between the genomic variable values and the TSS (or TTS) counts at incremental shifting of transcribed strand. The data of TSS and TTS counts used to compute the profiles were taken from the work of Pelechano et al. (1). ... -
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MELTING is a software to compute, for a nucleic acid duplex, the enthalpy and the entropy of the helix coil transition and then the melting temperature. Four types of hybridization are possible : DNA/DNA, RNA/RNA, RNA/DNA and mRNA/RNA.
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Barracuda is a high-speed sequence aligner based on Sanger's BWA and utilizes the latest Nvidia CUDA architecture for accelerating alignments of sequence reads generated by next-generation sequencers.
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Visualization of Protein-Ligand Graphs
Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools
NOTE: Project moved to https://github.com/MolBIFFM/PTGLtools. The Visualization of Protein-Ligand Graphs (VPLG) software package computes and visualizes protein graphs. It works on the super-secondary structure level and uses the atom coordinates from PDB files and the SSE assignments of the DSSP algorithm. VPLG is command line software. If you do not like typing commands, try our PTGL web server: http://ptgl.uni-frankfurt.de/ -
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Bamformatics
Toolkit and GUI for sequencing data analysis
The Bamformatics project aims to provide a coherent and consistent approach to analysis of high-throughput sequencing data. Its toolkit includes, among others, programs to identify variants and to compute various types genomic tracks. It also provides a graphical user interface to facilitate general bioinformatic workflows. The project wiki contains further details. -
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Sequencia
Protein Primary Sequnece Analysis
...JAVA, BIOJAVA were used under Platform Independent architecture. The Tool includes Properties of being offline where result can be stored in Text Format, here we can paste more than one sequence and also upload FASTA file to compute Parameters. -
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parSRA
Portable Framework for the Parallel Execution of Short Read Aligners
parSRA is a framework to execute short read aligners on compute clusters. It uses the following techniques in order to improve scalability: 1) a fast splitting of the input reads using the FUSE kernel module available in most of current Linux distributions; 2) a balanced on-demand distribution of the reads based on the shared locks of UPC++, an extension of C++ for parallel computing that follows the Partitioned Global Address Space (PGAS) paradigm. parSRA is portable as its configuration file allows the users to parallelize the execution of existing SRA tools without the need to modify the source code of parSRA or the aligner. -
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openSEQ
NGS compute distro proloaded with pipeline analysis software
Forked Ubuntu 14.04 minimal install with XOrg and FluxBox desktop environment for web-based pipeline construction and job submission. HOWTO: 1) Set VM network settings to a bridged adapter type. 2) Load VM to client 3) From host: $ ssh -X ubuntu@<foobar> 'firefox && butterfly.server.py --unsecure' --- passwd = 616287xx 5) or ssh into host with X forwarding, and type runme This will launch an X-session of Firefox on the client, which will then be forwarded to the host. The... -
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dna-bison
Bisulfite alignment On Nodes of a cluster
Bison allows users with access to a computer cluster to rapidly align whole-genome bisulfite sequencing or RRBS reads. It can align both directional and non-directional libraries and uses bowtie2. Multiple compute nodes are not absolutely required, but will make the alignment process faster. Further details available on the Wiki page. Help also available on SEQanswers (http://seqanswers.com/forums/showthread.php?t=31314) or by creating a ticket here. You can now track the development on github (https://github.com/dpryan79/bison). ... -
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MolSig
The Stereo Signature Molecular Descriptor
An algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure, based on our previously introduced signature molecular descriptor. The algorithm can generate two types of descriptors, one which is compliant with the Cahn-Ingold-Prelog priority rules, and a faster one based on our previous definition of a directed acyclic graph that isaugmented to a chiral molecular graph. -
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Hy3S uses advanced MPI parallelized hybrid stochastic simulation methods to quickly compute the dynamics of biochemical networks with thousands of species/reactions. Many features included (see Home Page). An easy-to-use GUI (Matlab req) is included.
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PASHA: Parallelized Short Read Assembly
One of the fastest parallel short read assemblers for large genomes.
PASHA is a parallel short read assembler for large genomes using de Bruijn graphs. Taking advantage of both shared-memory multi-core CPUs and distributed-memory compute clusters, PASHA has demonstrated its potential to perform high-quality de-novo assembly of large genomes in reasonable time with modest computing resources. Our evaluation using three small real paired-end datasets shows that PASHA is able to produce better assemblies with comparable genome coverage and mis-assembly rates compared to three leading assemblers: Velvet, ABySS and SOAPdenovo. ... -
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POPBAM is a tool to perform evolutionary or population-based analyses of next-generation sequencing data. POPBAM takes a BAM file as its input and can compute many widely used evolutionary genetics measures in sliding windows across a genome.
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birgHPCC
Rapid CUDA Cluster Deployment
...While retaining the major functions of the original birgHPC, including automated computing cluster conversion and auto slots detection, the new version (birgHPCC) is capable of creating and configuring a compute unified device architecture (CUDA) computing cluster, hence the extra āCā in the name. In addition to the increase in image size (less than 2 gigabytes) and a new Linux base (previously Debian, now Ubuntu), CUDA-capable bioinformatics software programs, such as NAMD, HOOMD-blue, VMD, GPU-HMMER and GPU-BLAST, are pre-installed in birgHPCC, along with the CUDA driver, libraries and software development kit (SDK). ... -
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QUASR
Cross-platform NGS processing and analysis pipeline in Python
...Functions include: duplicate removal demultiplexing primer-removal quality-assurance (QA) graphing quality control (QC) consensus-generation minority-variant determination minority-variant graphing The main current version is 6.X, which is written in Python3. 7.X is my rewrite in Java, but is still work in progress. Both are written to be as lightweight as possible so they can run with minimal memory-requirements on a desktop or laptop as well as on a compute cluster. If you have any problems with QUASR, please do contact me at the email address provided in the README. -
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OpenCDSurf
Compute CD cavity accessibility
An open-source software aimed at computing cavity accessibility in cyclodextrin derivatives -
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BpMatch is an algorithm that, given 2 strings S and T, compute the maximum coverage of T using only subequence or reversed complemented subsequences of S, of minimum length l.
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pMap is an MPI-based tool to parallelize the alignment step of state-of-the-art sequence mapping programs. It allows transparent execution of the alignment step of a selected program in parallel on a compute-cluster.
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VI Compute Server (VICS) is a collection of grid-enabled bioinformatics tools with HTTP (browser) and Web Services (scriptable) interfaces. JCVI VICS is licensed under the Perl Foundation Artistic License 2.0.
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FastPval is multiple stage p-value computing software that computes empirical p-values from a large set of permutated/resampled background data.
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CNV Workshop is a web-enabled platform for analyzing genome variation such as copy number variation (CNV). Learn about CNV Workshop in our associated BMC Bioinformatics manuscript: http://www.biomedcentral.com/1471-2105/11/74
