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

Find candidate molecular discovery datasets

Open

#116 opened on Apr 7, 2025

View on GitHubContributor guide
 (0 comments) (0 reactions) (0 assignees)Jupyter Notebook (7 forks)auto 404
data setshelp wanted

Repository metrics

Stars
 (16 stars)
PR merge metrics
 (PR metrics pending)

Description

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

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

Contributor guide

Research direction
Search for open molecular discovery datasets from public repositories like PubChem, ChEMBL, DrugBank, and ZINC. Also look for synthetic dataset generators. Create separate issues for each candidate dataset.
Tech stack
None
Domain
datamachine learningaibioinformatics
Issue type
Research
DifficultyEstimated implementation difficulty for a new contributor, from 1 for very small changes to 5 for expert-level work.
3
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.
40