In this section you can find self-learning training materials developed by PerMedCoE technical experts
Training materials on MaBoSS
MaBoSS is a tool for continuous time boolean modelling of biological systems. In addition to the main MaBoSS homepage, web (WebMaBoSS) and Python (pyMaBoSS) extensions are available. In this section you can find tutorials and demos to start using MaBoSS tools.
Tutorials on COBREXA
COBREXA.jl provides tutorials and notebooks with the purpose of explaining the most important concepts and functions for metabolic modelling and model handling to users, and then practicing them.
The documentation contains a quick start guide, examples and tutorials that explain the use of analysis methods to solve common tasks, and a guide for running the analyses on a HPC that describes the functionality required for parallel execution of large analyses
Tutorial on CellNOpt
This tutorial aims to be an introduction to
i) the preparation of the Prior knowledge network (PKN) of signaling pathways and
ii) the training of the PKN against biochemical data to create cell-specific models.
Tutorial on CARNIVAL
This is a tutorial to guide the analysis of RNAseq dataset using footprint based tools such as DOROTHEA, PROGENY and CARNIVAL
PerMedCoE tools: collections of resources
In the following links you can find more resources to learn about the PerMedCoE tools:
CARNIVAL: a bioinformatics tool that automatically creates signalling networks that explain gene expression data
CellNOpt: a method to derive a logic-based model from a prior knowledge network (PKN) and train it against perturbation measurements
COBREXA: a package for COnstraint Based Reconstruction and EXascale Analysis, designed for researchers interested in metabolic modelling
MaBoSS: a software for simulating signalling and regulatory networks, which produces trajectories describing the evolution of the states’ probabilities of a Boolean model
PhysiCell: a multi-scale agent-based framework for modelling and simulating multicellular systems
PhysiBoSS: an add-on of PhysiCell which enables simulating intracellular signalling and regulatory models inside individual the cell-agents
Introduction to HPC for Life Scientists
Here we share part of the material from the course ‘Introduction to HPC for Life Scientists‘, including lectures and practical tutorials about HPC and how to make an efficient use of HPC environments for research in the Life Sciences.
Computational layers. Lecture about software layers in modern computers and HPC environments.
Parallel and distributed computing with PhysiCell. In this practical session, we will explore PhysiCell’s capabilities to run simulations in parallel. In particular, we will take advantage of the different cores that a single machine could have, and subsequently, the different nodes available at a supercomputer such as MareNostrum 4.
Mapping computation to HPC hardware & GPU accelerators and heterogeneous architectures. Lectures and exercises about:
- Mapping computation to HPC hardware: molecular simulation
- GPU accelerators and heterogeneous architectures
- Introduction to HPC: molecular dynamics simulations with GROMACS
Tutorial on how to develop Building Blocks using the ‘permedcoe’ package
This section provides a step-by-step by tutorial on how to develop Building Blocks using the permedcoe package and an application that uses them.
Working with computing clusters: information and resources
This page collects together general information and resources for working with different computing clusters hosted by HPC centres and universities affiliated with PerMedCoE.
Tutorial on working with computing clusters
This tutorial provides an introduction to how to access a computing cluster, manage your data and submit jobs using a batch job system.
Introductory tutorial on using MPI with containers
In this material we will briefly touch upon why MPI is such a tricky component, explain the main approaches to combine MPI with containers and discuss when it is actually worthwhile to use MPI containers.