molecular-property-prediction
Package for TwinBooster. Enables fast and powerful zero-shot molecular property prediction.
Hybrid Network Evaluation Protocol — multi-method evaluation for hybrid quantum-classical ML models. Classifies your quantum component as Genuine, Regularizer, Ignored, or Dead Weight with bootstrap confidence intervals.
Machine learning for molecular property prediction
⚗️ Samsung AI Challenge for Scientific Discovery 5위 솔루션입니다.
MUBen: Benchmarking the Uncertainty of Molecular Representation Models
