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Basic PUB/SUB connection with ZeroMQ in Python
Nov 13, 2019: ZeroMQ is a great way to quickly and simply send messages between multiple programs running on the same or different computers. It is very simple and robust since it doesn't need any central server. Instead it talks directly between the programs through sockets, TCP-connections o ...
Table-driven tests in C#
Nov 2, 2019: Folks in the Go community have championed so called table-driven tests (see e.g. this post by Dave Cheney and the Go wiki) as a way to quickly and easily writing up a bunch of complete test cases with inputs and corresponding expected outputs, and looping over them to execute the ...
SciPipe paper published in GigaScience
Apr 27, 2019: We just wanted to share that the paper on our Go-based workflow library, SciPipe, was just published in GigaScience:
The complex nature of biological data has driven the development of specialized software tools. Scientific workflow management systems s ...
Structured Go-routines or framework-less Flow-Based Programming in Go
Mar 2, 2019: I was so happy the other day to find someone else who found the great benefits of a little pattern for how to structure pipeline-heavy programs in Go, which I described in a few posts before. I have been surprised to not find more people using this kind of pattern, which has been ...
Make your commandline tool workflow friendly
May 25, 2018: Update (May 2019): A paper incorporating the below considerations is published:
Björn A Grüning, Samuel Lampa, Marc Vaudel, Daniel Blankenberg,
"Software engineering for scientific big data analysis"
GigaScience, Volume 8, Issue 5, May 2019, giz054,
Parsing DrugBank XML (or any large XML file) in streaming mode in Go
Mar 15, 2018: I had a problem in which I thought I needed to parse the full DrugBank dataset, which comes as a (670MB) XML file (For open access papers describing DrugBank, see: , ,  and ).
It turned out what I needed was available as CSV files under "Structure External Links". ...
Equation-centric dataflow programming in Go
Dec 27, 2017: Mathematical notation and dataflow programming
Even though computations done on computers are very often based on some type of math, it is striking that the notation used in math to express equations and relations is not always very readily converted into programming code. Out ...
What is a scientific (batch) workflow?
Dec 7, 2017:
Workflows and DAGs - Confusion about the concepts
Jörgen Brandt tweeted a comment that got me thinking again on something I've pondered a lot lately:
"A workflow is a DAG." is really a weak definition. That's like saying "A love letter is a sequence of characters." r ...
Go is growing in bioinformatics workflow tools
Nov 10, 2017:
TL;DR: We wrote a post on gopherdata.io, about the growing ecosystem of Go-based workflow tools in bioinformatics. Go read it here
It is interesting to note how Google's Go programming language seems to increase in popularity in bioinformatics.
Just to give a sample of ...
Provenance reports in Scientific Workflows
Oct 19, 2017: Hoping to write up a series of posts that go through some of the design decisions made in the SciPipe, the Go-based scientific workflow library we're working on, to share some of the thinking behind them, and get the opportunity to get feedback and suggestions that might be imple ...
(Almost) ranging over multiple Go channels simultaneously
Oct 5, 2017: In my experiments (flowbase, scipipe) in using Flow-based programming (FBP) principles in pure Go, there is a common pattern occuring all the time: The need to synchronously read a set of values from multiple channels at the same time. That is, if I have three in-bound channels, ...
First production run with SciPipe - A Go-based scientific workflow tool
Sep 28, 2017: Today marked the day when we ran the very first production workflow with SciPipe, the Go-based scientific workflow tool we've been working on over the last couple of years. Yay! :)
This is how it looked (no fancy GUI or such yet, sorry):
The first result we got in this ...
Notes on launching kubernetes jobs from the Go API
Feb 15, 2017: This post is also published on medium
My current work at pharmb.io entails adding kubernetes support to my light-weight Go-based scientific workflow engine, scipipe (kubernetes, or k8s for short, is Google’s open source project for orchestrating container based compute clust ...
SMWCon Fall 2016 - My talk on large RDF imports
Oct 7, 2016: I was invited to give a talk at Semantic MediaWiki (SMW) conference (SMWCon) in Frankfurt last week, on our work on enabling import of RDF datasets into SMW. I have presented at SMWCon before as well (2011: blog, slides, video, 2013: slides), so it was nice to re-connect with som ...
Tutorial: Luigi for Scientific Workflows
Jun 21, 2016: This is a Luigi tutorial I held at the e-Infrastructures for Massively parallel sequencing workshop (Video archive) at SciLifeLab Uppsala in January 2015, moved here for future reference.
What is Luigi?
Luigi is a batch workflow system written in Python and developed by ...
Wanted: Dynamic workflow scheduling
Oct 26, 2015:
Photo credits: Matthew Smith / Unsplash
In our work on automating machine learning computations in cheminformatics with scientific workflow tools, I have came to realize something; Dynamic scheduling in scientific workflow tools is important and sometimes badly needed.
A few thoughts on organizing computational (biology) projects
Jun 23, 2015:
I read this excellent article with practical recommendations on how to organize a computational project, in terms of directory structure.
Directory structure matters
The importance of a good directory structure seems to often be overlooked in teaching about computationa ...
A cheatsheet for the iRODS rule language
Jun 11, 2015: iRODS, the "integrated rule oriented data system" is a super cool system for managing datasets consisting of files, from smallish ones, to really large ones counted in petabytes, and possibly spanning multiple continents.
There's a lot to be said about iRODS (up for another blog ...
Patterns for composable concurrent pipelines in Go
Jun 1, 2015: I realize I didn't have a link to my blog on Gopher Academy, on patterns for compoasable concurrent pipelines in Go(lang), so here it goes:
The role of simplicity in testing and automation
Mar 23, 2015: Disclaimer: Don't take this too seriously ... this is "thinking-in-progress" :)
It just struck me the other minute, how simplicity is the key theme behind two very important areas in software development, that I've been dabbling with quite a bit recently: Testing, and automation ...
The problem with make for scientific workflows
Mar 14, 2015:
The workflow problem solved once and for all in 1979?
As soon as the topic of scientific workflows is brought up, there are always a few make fans fervently insisting that the problem of workflows is solved once and for all with GNU make, written first in the 70's :)
Dynamic Navigation for Higher Performance
Mar 11, 2015: Improving performance in Delphi Bold MDA applications by replacing navigation code with derived links in the model
Guest Post on Model Driven Architecture in Delphi and Bold, by Rolf Lampa
Modeling class structures takes some thinking, and when done the thinking and the dra ...
Profiling and creating call graphs for Go programs
Aug 8, 2013: In trying to get my head around the code of the very interesting GoFlow library, (for flow-based programming in Go), and the accompanying flow-based bioinformatics library I started hacking on, I needed to get some kind of visualization (like a call graph) ... something like this ...
(E)BNF parser for parts of the Galaxy ToolConfig syntax with ANTLR
Jul 28, 2011: As blogged earlier, I'm currently into parsing the syntax of some definitions for the parameters and stuff of command line tools. As said in the linked blog post, I was pondering whether to use the Galaxy Toolconfig format or the DocBook CmdSynopsis format. It turned out though W ...
Answering questions without answers - by wrapping simulations in semantics
Feb 17, 2010: (This post is migrated from this post on Samuels old tech blog)
Explicit knowledge is too expensive
There are lots of things that can't be answered by a computer from data alone. Maybe the majority of what we humans perceive as knowledge is inferred from a combination of data ( ...
A "Hello World" program in SWI-Prolog
Sep 22, 2009: This is how to create a "Hello World" kind of program in SWI-Prolog, as installed on Ubuntu (Jaunty).
Prolog usage can be divided into two phases, one in which you write the Prolog program, and the other in which you query the program. The first phase is easiest done in a separa ...