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docs(datasets) Add two molecular datasets to recommended-fl-datasets table #4853

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merged 2 commits into from
Jan 24, 2025

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Haoran-Jie
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Issue

There was no entry in the recommended-fl-datasets table for datasets focused on aqueous solubility and multi-assay activity.

Description

This PR adds two datasets extracted from ChEMBL to the recommended-fl-datasets table:

  1. A dataset for aqueous solubility (chembl_aqsol).
  2. A dataset for multi-assay activity (chembl_multiassay_activity).

Related issues/PRs

No specific issue linked. This is an enhancement to improve dataset recommendations.

Proposal

Explanation

The addition of these datasets provides users with:

  • Greater variety in datasets for Federated Learning (FL) experiments.
  • Domain-specific data for drug discovery and related applications.

Checklist

  • Implement proposed change
  • Write tests
  • Update documentation
  • Make CI checks pass
  • Ping maintainers on Slack (channel #contributions)

Any other comments?

- Uploaded two datasets extracted from ChEMBL
- One for aqueous solubility, one for multi-assay activity
@jafermarq jafermarq changed the title docs(datasets) Add two datasets to recommended-fl-datasets table docs(datasets) Add two molecular datasets to the recommended-fl-datasets table Jan 24, 2025
@jafermarq jafermarq changed the title docs(datasets) Add two molecular datasets to the recommended-fl-datasets table docs(datasets) Add two molecular datasets to recommended-fl-datasets table Jan 24, 2025
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@jafermarq jafermarq left a comment

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Great addition to the collection @Haoran-Jie !! 🔥

@jafermarq jafermarq merged commit 3efb0dd into adap:main Jan 24, 2025
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dennis-grinwald pushed a commit to dennis-grinwald/floco_flower that referenced this pull request Feb 17, 2025
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2 participants