Example Dataset And Model Cards

Dataset cards and model cards document what each public example contains, how it is validated, and where its assumptions are likely to fail. They are meant to make the examples easier to audit before users adapt them to new materials datasets.

Public Example Cards

Example	Dataset card	Model card	Main notebook
OPV PCE	dataset card	model card	examples/opv/opv_gpr_modeling.ipynb
Solvent diffusivity	dataset card	model card	examples/solvent_diffusivity/solvent_diffusivity_gpr_modeling.ipynb

What The Cards Record

Each dataset card records:

• source paper and citation,
• dataset file and notebook location,
• target definition and units,
• feature columns and featurization logic,
• cleaning and filtering rules,
• validation protocol,
• intended use and known limitations.

Each model card records:

• model family and implementation,
• standard and physics-informed mean functions,
• equations used to introduce physics,
• learned physics parameters and GP hyperparameters,
• validation summary,
• intended use and limitations.

Why This Matters

Physics-informed GPR examples are easiest to trust when users can see exactly which features enter the physics equation, which parameters are learned during GP training, how the model was validated, and where the assumptions are likely to break. These cards make those details explicit without forcing users to read the full notebook first.