modnet

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Sklearn interface

1

The sklearn API implementation of MODNet can be found *under modnet.sklearn*. It enables integration with scikit-learn methods such as pipelines, model selection functions (e.g. gridsearch), and integration with other sklearn...

ppdebreuck

Does MODNet have facilities for including state variables such as temperature or pressure?

8

I was looking through the docs and example notebooks and didn't see where this information might fit in with the typical pipelines, but maybe I missed something.

sgbaird

How to sample from the posterior distribution using the Bayesian module?

3

I didn't notice anything obvious within [`modnet/models/bayesian.py`](https://github.com/ppdebreuck/modnet/blob/master/modnet/models/bayesian.py)

sgbaird

Now that #44 introduces multiple flavours of MODNet's, we should add an abstract model to promote code re-use.

ml-evs

As of #44, our strategy is to monitor the loss and stop early by default when performing hyperparameter optimisation. We do not, however, restore the best weights (those with the...

ml-evs

It would probably be a good idea to write/generate a changelog between releases.

ml-evs

We need to check whether they will take too long to run, but this could be beneficial.

ml-evs

This could be added to other presets as well, let me know if you want me to do that. This is not backward-incompatible since it defaults to False.

gbrunin

This is more a pandas-related issue, but the fix is easy here. If you want to reproduce easily: ``` import numpy as np import pandas as pd from pymatgen.core import...

gbrunin

Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 1.3.2 to 1.5.0. Release notes Sourced from scikit-learn's releases. Scikit-learn 1.5.0 We're happy to announce the 1.5.0 release. You can read the release highlights under https://scikit-learn.org/stable/auto_examples/release_highlights/plot_release_highlights_1_5_0.html and...

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