Rogério Gouvêa

icon indicating a website link https://sites.google.com/view/rogeriogouvea/home icon indicating an email [email protected]

icon location I am a programmer and PhD in materials science, looking forward to implement nice codes for materials research, machine learning and IT in general.

Results 5 issues of Rogério Gouvêa

Update vanilla.py

Implemented a clipping method after scaling the data. Some features may only have reasonable values for a subset that wasn't included in the training set and when applying the scaler...

Update ensemble.py

In std calculation to get the uncertainty, when the targets are high values, the float16 which was used as default in my calculations, blows up. Included a cast to np.float32...

Issue with combining empty dataframes, small update to matminerfast

Introduces a safe_join function to allow for more customized edits of the featurizers while preserving the rule for duplicated names with sufix and prefix.

Problem combining dataframes from different classes of featurizers

Regarding this code in featurizers.py: ``` def featurize(self, df: pd.DataFrame) -> pd.DataFrame: """Run all of the preset featurizers on the input dataframe. Arguments: df: the input dataframe with a `"structure"`...

Matminer2024FastFeaturizer minor issues

Matminer2024FastFeaturizer is not in the dictionary in FEATURIZER_PRESETS. More importantly, when using for composition only it reverts to CompositionOnlyMatminer2023Featurizer, however the structure_featurizers are not empty, it then includes erroneously GlobalSymmetryFeatures|is_centrosymmetric...