csheare / etfl

ETFL: A formulation for flux balance models accounting for expression, thermodynamics, and resource allocation constraints

ETFL

ETFL: A formulation for flux balance models accounting for expression, thermodynamics, and resource allocation constraints

Paper: Salvy, P., Hatzimanikatis, V. The ETFL formulation allows multi-omics integration in thermodynamics-compliant metabolism and expression models. Nat Commun 11, 30 (2020) doi:10.1038/s41467-019-13818-7

Preprint on BioRxiv

See also yETFL for a yeast model!

This code is an early release. You will need pyTFA to run it. We recommend using commercial solvers such as CPLEX or Gurobi to run these problems.

Requirements

You will need to have Git-LFS in order to properly download some binary files:

git clone https://github.com/EPFL-LCSB/etfl.git /path/to/etfl
cd /path/to/etfl
git lfs install
git lfs pull

This module was developed in Python 3.5, and it is recommended to run Python 3.5 to run commercial solvers such as Gurobi and CPLEX. Other Python versions (2.7, 3.4) might also work but are not officially supported (see the CI builds)

This module requires pyTFA, as well as COBRApy, and optlang to work properly. The installer should take care of that for you. You might also want to install a dedicated solver. GLPK, CPLEX and Gurobi are supported.

Installation

The module can be installed like any Python package:

git clone https://github.com/EPFL-LCSB/etfl.git /path/to/etfl
cd /path/to/etfl
python3 setup.py install

The installation process should not exceed a minute if the requirements are installed. If they are not, it might take longer as the installer installs them first.

Running the code

You can run the examples in etfl/tutorials:

cd etfl/tutorials
python test_small.py

You can also run them inside IPython to experiment and play with the objects:

ipython
run test_small.py
m.print_info()

Docker

We recommend the use of Docker to set up a container that will have the proper environment and package version to make ETFL work.

Right now, the ETFL Docker is built on top of the pyTFA Docker. If you want to use Docker-based install, you will need a working pytfa docker image, with either CPLEX or Gurobi on it. You can install them by following the instructions in pyTFA's Documentation.

More details are available in the Docker folder

License

The software in this repository is put under an APACHE-2.0 licensing scheme - please see the LICENSE file for more details.