OMC25 Family

2 datasets | 26.3M total configurations

Overview

Total Downloads

202

Total Configurations

26.3M

Unique Elements

12

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

12 Elements
B Br C Cl F H I N O P S Si

Calculated Properties

3 Property Types
Energy (2 datasets) Atomic Forces (2 datasets) Cauchy Stress (2 datasets)

Methods

1 Methods
DFT-PBE

Software

1 Software
VASP 6.3

Related Families

1 Related Families

Member Datasets

2 Datasets
Dataset Name Downloads Configurations Elements Properties Links
Open_Molecular_Crystals_2025_OMC25_train
The training split of OMC25. Open Molecular Crystals 2025 (OMC25) is a molecular crystal dataset produced by Meta. The O...
172 24,870,226 12 3
Open_Molecular_Crystals_2025_OMC25_validation
The validation split of OMC25. Open Molecular Crystals 2025 (OMC25) is a molecular crystal dataset produced by Meta. The...
30 1,386,816 12 3