Gap report

Neural Message Passing for Quantum Chemistry

Gilmer J et al. · ICML, 2017

A relatively clean graph-learning paper to translate, with most uncertainty concentrated in environment-level details.

Specified

Message passing is the stated model family.

Quantum chemistry regression framing and targets are explicit.

Core reported metrics are available.

Partial

Implementation details depend on the graph library used in reproduction.

Missing

Pinned package versions and exact hardware assumptions.

Template fit

GNN regression

Confidence: High. Reported gaps: 2.

Next step

Use this example gap report as a review aid, then check the matching template coverage before relying on generated defaults for a real paper translation.

Neural Message Passing for Quantum Chemistry | Gap report | OpenAlgo | OpenAlgo