Motivation The field of metagenomics has provided valuable insights into the structure, diversity and ecology within microbial communities. One key step in metagenomics analysis is to assemble reads into longer contigs which are then binned into groups of contigs that belong to different species present in the metagenomic sample. Binning of contigs plays an important role in metagenomics and most available binning algorithms bin contigs using genomic features such as oligonucleotide/k-mer composition and contig coverage. As metagenomic contigs are derived from the assembly process, they are output from the underlying assembly graph which contains valuable connectivity information between contigs that can be used for binning. Results We propose GraphBin, a new binning method that makes use of the assembly graph and applies a label propagation algorithm to refine the binning result of existing tools. We show that GraphBin can make use of the assembly graphs constructed from both the de Bruijn graph and the overlap-layout-consensus approach. Moreover, we demonstrate improved experimental results from GraphBin in terms of identifying mis-binned contigs and binning of contigs discarded by existing binning tools. To the best of our knowledge, this is the first time that the information from the assembly graph has been used in a tool for the binning of metagenomic contigs. Availability and implementation The source code of GraphBin is available at https://github.com/Vini2/GraphBin. Contact vijini.mallawaarachchi@anu.edu.au or yu.lin@anu.edu.au Supplementary information Supplementary data are available at Bioinformatics online.

Motivation Metagenomics studies have provided key insights into the composition and structure of microbial communities found in different environments. Among the techniques used to analyse metagenomic data, binning is considered a crucial step to characterize the different species of micro-organisms present. The use of short-read data in most binning tools poses several limitations, such as insufficient species-specific signal, and the emergence of long-read sequencing technologies offers us opportunities to surmount them. However, most current metagenomic binning tools have been developed for short reads. The few tools that can process long reads either do not scale with increasing input size or require a database with reference genomes that are often unknown. In this article, we present MetaBCC-LR, a scalable reference-free binning method which clusters long reads directly based on their k-mer coverage histograms and oligonucleotide composition. Results We evaluate MetaBCC-LR on multiple simulated and real metagenomic long-read datasets with varying coverages and error rates. Our experiments demonstrate that MetaBCC-LR substantially outperforms state-of-the-art reference-free binning tools, achieving ∼13% improvement in F1-score and ∼30% improvement in ARI compared to the best previous tools. Moreover, we show that using MetaBCC-LR before long-read assembly helps to enhance the assembly quality while significantly reducing the assembly cost in terms of time and memory usage. The efficiency and accuracy of MetaBCC-LR pave the way for more effective long-read-based metagenomics analyses to support a wide range of applications. Availability and implementation The source code is freely available at: https://github.com/anuradhawick/MetaBCC-LR. Supplementary information Supplementary data are available at Bioinformatics online.

Background Advancements in metagenomics sequencing allow the study of microbial communities directly from their environments. Metagenomics binning is a key step in the species characterisation of microbial communities. Next-generation sequencing reads are usually assembled into contigs for metagenomics binning mainly due to the limited information within short reads. Third-generation sequencing provides much longer reads that have lengths similar to the contigs assembled from short reads. However, existing contig-binning tools cannot be directly applied on long reads due to the absence of coverage information and the presence of high error rates. The few existing long-read binning tools either use only composition or use composition and coverage information separately. This may ignore bins that correspond to low-abundance species or erroneously split bins that correspond to species with non-uniform coverages. Here we present a reference-free binning approach, LRBinner, that combines composition and coverage information of complete long-read datasets. LRBinner also uses a distance-histogram-based clustering algorithm to extract clusters with varying sizes. Results The experimental results on both simulated and real datasets show that LRBinner achieves the best binning accuracy in most cases while handling the complete datasets without any sampling. Moreover, we show that binning reads using LRBinner prior to assembly reduces computational resources required for assembly while attaining satisfactory assembly qualities. Conclusion LRBinner shows that deep-learning techniques can be used for effective feature aggregation to support the metagenomics binning of long reads. Furthermore, accurate binning of long reads supports improvements in metagenomics assembly, especially in complex datasets. Binning also helps to reduce the resources required for assembly. Source code for LRBinner is freely available at https://github.com/anuradhawick/LRBinner.

Bioinformatics research continues to advance at an increasing scale with the help of techniques such as next-generation sequencing and the availability of tool support to automate bioinformatics processes. With this growth, a large amount of biological data gets accumulated at an unprecedented rate, demanding high-performance and high-throughput computing technologies for processing such datasets. Use of hardware accelerators, such as graphics processing units (GPUs) and distributed computing, accelerates the processing of big data in high-performance computing environments. They enable higher degrees of parallelism to be achieved, thereby increasing the throughput. In this paper, we introduce BioWorkflow, an interactive workflow management system to automate the bioinformatics analyses with the capability of scheduling parallel tasks with the use of GPU-accelerated and distributed computing. This paper describes a case study carried out to evaluate the performance of a complex workflow with branching executed by BioWorkflow. The results indicate the gains of $\times 2.89$ magnitude by utilizing GPUs and gains in speed by average $\times 2.832$ magnitude (over $n = 5$ scenarios) by parallel execution of graph nodes during multiple sequence alignment calculations. Combined speed-ups are achieved $\times 1.71$ times for complex workflows. This confirms the expected higher speed-ups when having parallelism through GPU-acceleration and concurrent execution of workflow nodes than the mainstream sequential workflow execution. The tool also provides a comprehensive user interface with better interactivity for managing complex workflows; a system usability scale score of 82.9 is confirmed high usability for the system.

Background Metagenomic sequencing allows us to study the structure, diversity and ecology in microbial communities without the necessity of obtaining pure cultures. In many metagenomics studies, the reads obtained from metagenomics sequencing are first assembled into longer contigs and these contigs are then binned into clusters of contigs where contigs in a cluster are expected to come from the same species. As different species may share common sequences in their genomes, one assembled contig may belong to multiple species. However, existing tools for binning contigs only support non-overlapped binning, i.e., each contig is assigned to at most one bin (species). Results In this paper, we introduce GraphBin2 which refines the binning results obtained from existing tools and, more importantly, is able to assign contigs to multiple bins. GraphBin2 uses the connectivity and coverage information from assembly graphs to adjust existing binning results on contigs and to infer contigs shared by multiple species. Experimental results on both simulated and real datasets demonstrate that GraphBin2 not only improves binning results of existing tools but also supports to assign contigs to multiple bins. Conclusion GraphBin2 incorporates the coverage information into the assembly graph to refine the binning results obtained from existing binning tools. GraphBin2 also enables the detection of contigs that may belong to multiple species. We show that GraphBin2 outperforms its predecessor GraphBin on both simulated and real datasets. GraphBin2 is freely available at https://github.com/Vini2/GraphBin2.