- Tests to publish the package on PyPI.
- Added a step function to the univariate data generation module of the
univariate
class. - Added the functionality to export the univariate data. An example was added to the univariate notebook in the documentation.
- Changed univariate data storage to dictionaries instead of arrays.
- Added a check which examples are implemented to the
__init__
function of thebatch
class.
- Corrected the way the concentration profiles are returned after using a custom ODE file.
- Created two new example notebooks for the custom ODE case (with and without additional arguments given for the ODE file).
- Added missing
__init__
file for utility functions in ODE module. - Changed documentation for RtD.
- Added
batch6
example. - Replaced residual
odeint
functions by thesolve_ivp
functions in the built-inbatch
examples.
- In the
mimic
class, the same plotting, train_test_splitting and exporting functionalities were added as for thebatch
class. - Replaced all the
odeint
functions by thesolve_ivp
functions.
- Added the functionality to hand over a custom ODE file and some noisy data. The
fit_and_augment
class ininsidapy.augment.mimic
will the fit the noisy data the model can then be used to generate new data.
- Made ready for public release.
- Changed the name from "simulator" to "insidapy" (in-silico data (generation) in Python) to prevent possible confusion with other simulators if installed in the same environment.
- Split the
batch
andfedbatch
examples in two different classes. - Adjusted the wording a bit to distinguish examples in fedbatch or batch operation mode.
- Included a bioreactor example in fedbatch operation mode.
- Included an option to show the implemented examples in the ODE module.
- Added chemical reaction examples.
- Included the option to print the information about the example in a nice table.
- Added extended reference information about the examples, which are also printed to the table.
- Added michaelis menten kinetics example to ODE module.
- Added plot-saving options for univariate class.
- Corrected typo in the univariate class.
- Added another plotting option to visualize training and testing batches easily in the ODE module.
- Separated the ODEs to have a better overview. Now, a new file called
ode_collection.py
is available.
- Improved the instructions how to apply a train-test-split in the readme.
- Added a check in the export function of the ODE module that the train-test-split was executed before letting the user export the training or testing data.
- Included the option to do the entire simulation with custom ODE files that are stored separately by the user.
- Updated docs accordingly.
- Included Sphinx documentation and moved the examples folder one level up. Adjusted reame file accordingly.
- Included a multivariate class with the Rosenbrock function as example. The function data (noisy and noisfree) can be exported as an excel file.
- Included the option of overwriting the bounds of the initial conditions and the time span for the ODE integration. Renamed the package from "emulator" to "simulator".
- Creation of the emulator.