OPoly26 Family

2 datasets | 6.3M total configurations

Open Polymers 2026 (OPoly26) datasets from Meta/FAIR Chemistry/LLNL. Encompasses variations in monomer composition, polymerization degree, chain architectures, and solvation environments to improve machine learning model performance for polymer property prediction. QM9,Datasets related to and derived from QM9

Overview

Datasets

2

Total Downloads

120

Total Configurations

6.3M

Unique Elements

25

Property Types

2

Methods Used

1

Elements Included

25 Elements
Al B Br C Ca Cl Co Cs Cu F Fe H I K La Li Mg N Na Ni O P S Sr Zn

Calculated Properties

2 Property Types
Energy (2 datasets) Atomic Forces (2 datasets)

Methods

1 Methods
DFT-ωB97M-V

Software

1 Software
ORCA

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
OPoly26-train
Training set of the Open Polymers 2026 (OPoly26) dataset. OPoly26 contains over 6.57 million density functional theory (...
 83 6,104,876 25 2 View DOI
OPoly26-val
Validation set of the Open Polymers 2026 (OPoly26) dataset. OPoly26 contains over 6.57 million density functional theory...
 37 210,302 25 2 View DOI