The-AI-Alliance/open-trusted-data-initiative

Find candidate drug discovery datasets

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#117 opened on Apr 7, 2025

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data setshelp wanted

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Description

This is somewhat open-ended; find real and synthetic datasets for drug discovery applications.

Treat this issue as an "epic"; create more specific tickets for particular examples being investigated.

Contributor guide

Research direction
Identify and list public datasets for drug discovery (e.g., ChEMBL, PubChem, DrugBank) or synthetic data generators like DeepChem. Create separate issues for each promising dataset.
Tech stack
python
Domain
databioinformatics
Issue type
Research
DifficultyEstimated implementation difficulty for a new contributor, from 1 for very small changes to 5 for expert-level work.
2
Estimated timeA rough time range for an experienced contributor to investigate, implement, test, and prepare a pull request.
Over 1 week
Activity statusHow available the issue appears right now: fresh, active, stale, blocked, or waiting on maintainer input.
Fresh
ClarityHow clearly the issue explains the expected change, acceptance criteria, and next step.
Mostly clear
Prerequisites
None
Newbie friendlinessA 1-100 score estimating how approachable this issue is for first-time contributors.
60