Scientific Deep Chemistry

Deep chemistry

Deep chemistry skill. Graph neural networks for molecular property prediction, molecular generation with VAE/GAN, reaction prediction, and retrosynthesis planning.

Use This Skill When

• Graph neural networks for molecular property prediction.
• Molecular generation with VAE/GAN.
• Reaction prediction.
• Retrosynthesis planning.

Required Inputs

• Research objective, decision target, or hypothesis.
• Available data, source constraints, and domain assumptions.
• Required outputs, success metrics, and deadline or reproducibility constraints.

Workflow

1. Confirm scope, assumptions, and the exact artifact set to save.
2. Apply the narrowest domain method that answers the request with defensible evidence.
3. Save code, tables, figures, and intermediate outputs to files instead of chat-only output.