compchem-deepchem-screening

What problem does it solve?

This ISC template provides a structured, reusable scaffold for chemistry and materials screening workflows using DeepChem, enabling consistent validation and rapid prototyping.

Core Features & Use Cases

• Template-driven setup for GraphConvModel-based pipelines on environmental hazard datasets.
• Built-in input validation to enforce data integrity and reproducibility.
• Use Case: Researchers can spin up a screening workflow for known compounds and apply the same validation rules across projects.

Quick Start

Use this template to scaffold a chemistry screening pipeline with DeepChem and strict input validation for environmental hazard datasets.