Gap report

SchNet: A Continuous-Filter Convolutional Neural Network for Modeling Quantum Interactions

Schutt K et al. · NeurIPS, 2017

The architecture is well known, but production translation still depends on several omitted training details.

Specified

Continuous-filter graph convolution is the core approach.

Quantum interaction targets are clearly scoped.

Partial

Architecture depth and hidden size are described without every training constant.

Benchmark setup is clear at paper level, not fully operationalized.

Missing

Exact seed policy.

Library version pinning.

Detailed preprocessing for every dataset variant.

Template fit

GNN regression

Confidence: Medium. Reported gaps: 6.

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.

SchNet: A Continuous-Filter Convolutional Neural Network for Modeling Quantum Interactions | Gap report | OpenAlgo | OpenAlgo