Alexander Goscinski

Detected by @PicoCentauri ### Problem ```python import numpy as np from skmatter.feature_selection import FPS np.random.seed(0) n_samples = 10 n_features = 15 X = np.random.rand(n_samples , n_features ) X[:, 3] =...

there are properties in the dataset, but they are not mentioned in the description

From discussion in PR #179: We have a doc linter, but no formatter for the doc rst files (like black for code) . But all existing formatter are not so...

From docs it is not super clear that sample selection works analogously to feature selection

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We have even in the examples a section `Feature and Sample Selection`, but no example notebook. https://scikit-matter.readthedocs.io/en/latest/tutorials.html

CLI: Add the subcommand `verdi computer export`

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Enables the export of the configuration and setup of a computer to yaml file similar to `verdi code export`. Since the setup and configuration are two seperate steps, one has...

Naming of gradients

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Hello, I wonder if we should switch the way we name gradients, because at the moment the metadata for the components is not so descriptive. For the positions gradients it...

And, more general, some idea for the future: We could also make the `OUTPUT_FILE` optional, and use `f{label}-setup/config.yaml` as default (also for the code export), as this is probably how...

`verdi node graph generate` error for missing PK is not correctly handled and help page is wrong

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### Describe the bug / Steps to reproduce / Expected behavior - Error for missing is PK not properly handled ```bash $ verdi node graph generate Traceback (most recent call...

### Describe the current issue and solution you'd like Some Wiki entries for contributors are quite outdated like the [branch description](https://github.com/aiidateam/aiida-core/wiki/Branch-descriptions) therefore I wanted to update them, but was not...

Doc: Fixing several small issues

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Recursive workchain in code snippets that can theoretically not run has been fixed by using different name for the inner workchain (Sorry did create a branch on aiida-core by accident...