3D Synthetic Petroleum-Derived GEMS (MVP Release)
📌 Dataset Overview
This dataset contains 197 elite, highly complex 3D molecular structures derived from petroleum fractions. Designed specifically for petrochemicals, materials science, organic semiconductors, and specialized additives, these compounds represent a curated "Golden Fund" of stable, complex hydrocarbons.
Unlike drug-like molecules, this dataset focuses on polycyclic architectures, rigid 3-ring… See the full description on the dataset page: https://huggingface.co/datasets/nadizik/3D_Synthetic_Petroleum_Derived_GEMS.
