Maud
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Enzyme models that take into account kinetics, allostery and thermodynamics
==== Maud
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Maud is an application that fits Bayesian statistical models of
metabolic networks using Python <https://www.python.org/>
_ and Stan <https://mc-stan.org>
_.
Maud aims to take into account allosteric effects, ensure that the laws of thermodynamics are obeyed and to synthesise information from both steady state experiments and the existing literature.
Installation
First create a fresh Python virtual environment and then activate it:
.. code-block:: console
python -m venv .venv --prompt=maud
source .venv/bin/activate
To install Maud and its python dependencies to your new virtual environment, run this command:
.. code-block:: console
pip install maud-metabolic-models
Cmdstanpy depends on cmdstan <https://github.com/stan-dev/cmdstan>
_,
which in turn requires a c++ toolchain. On some computers you will have to
install these in order to use Maud. You will hit an error at the next step if
this applies to your computer. Luckily cmdstanpy comes with commands that
can do the necessary installing for you. On windows the c++ toolchain can be installed with
the following powershell commands:
Usage
Maud is used from the command line. To see all the available commands try running
.. code-block:: console
maud --help
Copyright
- Copyright (c) 2023, Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark.
- Free software distributed under the
GNU General Public License 3.0 <https://www.gnu.org/licenses/>
_