Behrang Shafei

Debug adabter didn't respond on Windows

3

Hi there, I am a VS Code user and wanted to try out Neovim (version 0.7) for Rust development. I found this nice plugin. I still cannot get debugging to...

Update linting

4

Pyright and Ruff are out-dated. We can also try to replace Black by Ruff-Format and have one dependency less.

Following the discussion in #199, the assert/pytest raises `Exception` rule [B017](https://beta.ruff.rs/docs/rules/assert-raises-exception/) is an open. To enforce this tests need to be adapted.

general uncertainty/optimization wrapper for any model

5

Uncertainty based on distance together with random sampling for optimization is used in basf/mbo's Random Forest implementation. This can be applied to any model that does not have uncertainty predictions...

- use Bofire's model functionality. - maybe just inherit from bofire base botorch base strategy and overwrite ask or subclass again

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)

Sampling for n-choose-k and linear equality

3

Currently, it is not possible to randomly sample from problems that have n-choose-k-constraints and linear equality constraints on the same variables.

Check if constraints are satisfiable

2

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...

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.