Bofire

What's Changed
* Interpoint constraints available both as data model and implemented in the `PolytopeSampler` by jduerholt in https://github.com/experimental-design/bofire/pull/313
* Configurable output scalers for all surrogates by simonsung06 in https://github.com/experimental-design/bofire/pull/309

**Full Changelog**: https://github.com/experimental-design/bofire/compare/v0.0.8...v0.0.9

What's Changed
* Fix number of experiments condition for zero experiments by jduerholt in https://github.com/experimental-design/bofire/pull/266
* Smaller model dumps by jduerholt in https://github.com/experimental-design/bofire/pull/267
* Added outlier detection tutorial by swagataroy123 in https://github.com/experimental-design/bofire/pull/262
* Add generic benchmark module by jduerholt in https://github.com/experimental-design/bofire/pull/269
* Add log single-objective ACQFs by jduerholt in https://github.com/experimental-design/bofire/pull/271
* Bayesian optimization over molecules by swagataroy123 in https://github.com/experimental-design/bofire/pull/268
* Change random seed behavior by jduerholt in https://github.com/experimental-design/bofire/pull/276
* Sync the output of surrogate.predict and strategy.predict by jduerholt in https://github.com/experimental-design/bofire/pull/282
* Fix infeasible cost calculation for categorical inputs by jduerholt in https://github.com/experimental-design/bofire/pull/281
* Refactor get acquisition in SOBO strategies and adapt to new way of handling constraints by gmancino in https://github.com/experimental-design/bofire/pull/275
* Feature/experiment validation by jduerholt in https://github.com/experimental-design/bofire/pull/289
* Implement possibility to run hyperparameter opts in the strategy by jduerholt in https://github.com/experimental-design/bofire/pull/287
* Refactor the candidates/experiments validators. by jduerholt in https://github.com/experimental-design/bofire/pull/291
* Add possibility to compute feature importance over the lengthscales in a SingleTaskGPSurrogate by jduerholt in https://github.com/experimental-design/bofire/pull/293
* Fix for categorical features that are fixed in fully categorical BO by simonsung06 in https://github.com/experimental-design/bofire/pull/295
* Mapping happens outside of runner by bertiqwerty in https://github.com/experimental-design/bofire/pull/296
* Add polynomial kernel by dlinzner-bcs in https://github.com/experimental-design/bofire/pull/298
* 286 add surrogate models that can extrapolate by dlinzner-bcs in https://github.com/experimental-design/bofire/pull/299
* Iterative branch and bound by dlinzner-bcs in https://github.com/experimental-design/bofire/pull/302
* Updated rdkit fragment/descriptor list by simonsung06 in https://github.com/experimental-design/bofire/pull/306
* Allow for max_active=(variables in constraint) in n_choose_k_constraints_as_bounds() by Osburg in https://github.com/experimental-design/bofire/pull/304
* Add output_scaler to mlp by simonsung06 in https://github.com/experimental-design/bofire/pull/305
* Add multi-objective log ACQFs by jduerholt in https://github.com/experimental-design/bofire/pull/308

New Contributors
* gmancino made their first contribution in https://github.com/experimental-design/bofire/pull/275

**Full Changelog**: https://github.com/experimental-design/bofire/compare/v0.0.7...v0.0.8

This release includes a BoFire version which requires BoTorch 0.9.2. In addition the following things are new:

What's Changed
* relaxing error to a warning by ufukguenes in https://github.com/experimental-design/bofire/pull/257
* Outlier detection in predictive strategies by swagataroy123 in https://github.com/experimental-design/bofire/pull/235
* added calibration metric by swagataroy123 in https://github.com/experimental-design/bofire/pull/253
* `CategoricalMolecularFeature` by jduerholt in https://github.com/experimental-design/bofire/pull/260
* Fix for to and from categorical variable encoding by simonsung06 in https://github.com/experimental-design/bofire/pull/261
* DoE for categorical features by ufukguenes in https://github.com/experimental-design/bofire/pull/259
* stratified kfold for cv by simonsung06 in https://github.com/experimental-design/bofire/pull/263
* Make compatible with latest botorch release and main branch by jduerholt in https://github.com/experimental-design/bofire/pull/265

New Contributors
* ufukguenes made their first contribution in https://github.com/experimental-design/bofire/pull/257

**Full Changelog**: https://github.com/experimental-design/bofire/compare/v0.0.6...v0.0.7

This release includes a BoFire version which is compatible with BoTorch 0.9.1 and therefore requires at least Python 3.9.

This release is the only BoFire release that supports Python 3.8. It uses BoTorch 0.8.5. Later releases will require at least Python 3.9 and use BoTorch >= 0.9.1.