MolProp Toolkit Utility: schema validation

CSV schema validation

Validates that a results CSV matches the toolkit’s schema (known columns, patterns, types) and can optionally require that columns for specific categories are present.

calc-v4 calc-v5 prep analyze report sketch series picklists similarity featurize retro schema

Typical usage

python -m tools.validate_csv_schema results.csv

Require categories

python -m tools.validate_csv_schema results.csv --require-category cns_mpo --require-category developability

Why this is useful

Schema validation is helpful when exchanging CSVs between teams, upgrading toolkit versions, or when you’re adding new columns and want to ensure reports/picklists won’t silently miss important fields.