mopti
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Lightweight tools for experimental design and multi-objective optimization.
Parameter names in the constraints need to be existent variables. See [`Problem.check_problem`](https://github.com/basf/mopti/blob/7b907e7513984ab862b4bde0a3ac6ab08eb457b7/opti/problem.py#L176)
AffineTransform.augment should readd columns at the original position. This is just optics but it helps readibility.
The intent of the target value in ``Minimize` and `Maximize` is for when the objective is used as an output constraint. For example `Maximize("stability", target=0.5)` requires stability > 0.5. This...
Currently, it is not possible to randomly sample from problems that have n-choose-k-constraints and linear equality constraints on the same variables.
The purpose of this would be to aid users by this consistency check when specifying constraints. Checking feasibility is only reasonably possible for linear constraints. To do this check we...
```python smaller_problem = subproblem( problem, outputs=list_of_output_names, ) ```
Purpose: make graphs neater, remove possibilities for processing problems with names with special characters. Can mimic some commercial solutions. Store dictionary mapping to original column names.
We could support transformations from inputs to specific objectives either in a general way or at least for some chemistry related quantities such as yield or selectivity.