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Tutorial: Data Exploration #46
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- jupyter/notebook#7002 - Fix using notebook formatter provided by pycharm professional
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Some additions that I would like to see in the notebook:
- In the introduction, explain the role of the dataset in the training process (automatically created when needed)
- A few links to the source code (for example, the first mention of
XYBaseDataModule
should link to the implementation) - Encodings: refer to documentation for the encodings
Changes: - I would put the explanation of specific input parameters further down in order to not overwhelm a first-time user that just needs the commands for creating a simple dataset (If the parameter explanations match the docstrings, it might also be sufficient to refer to them).
- Encodings: Don't mention InCHI or SMARTS at all or mention that they are not a supported encoding (also, technically, SMARTS is not a chemical encoding, but an encoding for sets of chemicals - it does not belong in the same category as SMILES or SELFIES)
- Protein sequences: -> separate file
I have done the suggested changes, Please review. |
The changes we discussed earlier:
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I have done the suggested changes, Please review.
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This should be nearly done. The only addition I would like to have is a code snippet that actually uses the |
I have done the suggested changes and added a cell to switch to root dir of project as suggested. Please review.
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Thanks for implementing the changes.
Issue: Create data exploration tutorial #33
Dependency : PR Protein function prediction with GO - Part 2 #57