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Added data conversion scripts. #272

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Added data conversion scripts. #272

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Commits on Aug 2, 2024

  1. Added data conversion scripts.

    @frobnitzem
    frobnitzem committed Aug 2, 2024
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Commits on Aug 5, 2024

  1. Successful import_csv and yaml_to_config.

    @frobnitzem
    frobnitzem committed Aug 5, 2024
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Commits on Aug 7, 2024

  1. Added documentation and dataset model validator.

    @frobnitzem
    frobnitzem committed Aug 7, 2024
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  2. Updates for dataset ingestion. 

    * Added get_edge_attribute_name to smiles_utils

* Bugfix for returning 1-hot element names in smiles_utils/graph
  generation

* Made it possible to skip 1-hot element encoding in smiles_utils/graph
  generation

* created TODO list in yaml_to_config.py
    @frobnitzem
    frobnitzem committed Aug 7, 2024
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Commits on Aug 13, 2024

  1. Updated import_csv with additional input validation and pq read ability.

    @frobnitzem
    frobnitzem committed Aug 13, 2024
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Commits on Aug 21, 2024

  1. Updated train.py

    @frobnitzem
    frobnitzem committed Aug 21, 2024
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  2. Added config.py parser.

    @frobnitzem
    frobnitzem committed Aug 21, 2024
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