MAD Family

5 datasets | 99.6K total configurations

Overview

Total Downloads

145

Total Configurations

99.6K

Unique Elements

89

Property Types

3

Methods Used

1

Software Packages

1

Elements Included

89 Elements
Ag Al Ar As Au B Ba Be Bi Br C Ca Cd Ce Cl Co Cr Cs Cu Dy Er Eu F Fe Ga Gd Ge H He Hf Hg Ho I In Ir K Kr La Li Lu Mg Mn Mo N Na Nb Nd Ne Ni Np O Os P Pb Pd Pm Po Pr Pt Pu Rb Re Rh Rn Ru S Sb Sc Se Si Sm Sn Sr Ta Tb Tc Te Th Ti Tl Tm U V W Xe Y Yb Zn Zr

Calculated Properties

3 Property Types
Energy (5 datasets) Atomic Forces (5 datasets) Cauchy Stress (5 datasets)

Methods

1 Methods
DFT-PBEsol

Software

1 Software
VASP

Member Datasets

5 Datasets
Dataset Name Downloads Configurations Elements Properties Links
Massive_Atomic_Diversity_MAD_bench_mad
The MAD benchmark dataset, containing a selection of MAD test, MPtrj, Alexandria, SPICE, MD22 and OC2020 datasets, compu...
 37 1,884 81 3 View DOI
Massive_Atomic_Diversity_MAD_bench_mptrj
The MAD benchmark dataset, containing a selection of MAD test, MPtrj, Alexandria, SPICE, MD22 and OC2020 datasets, compu...
 25 2,114 85 3 View DOI
Massive_Atomic_Diversity_MAD_test
The test split of the MAD (Massive Atomic Diversity) dataset. From the creators: Starting from relatively small sets of ...
 28 9,546 85 3 View DOI
Massive_Atomic_Diversity_MAD_train
The training split of the MAD (Massive Atomic Diversity) dataset. From the creators: Starting from relatively small sets...
 30 76,482 85 3 View DOI
Massive_Atomic_Diversity_MAD_val
The validation split of the MAD (Massive Atomic Diversity) dataset. From the creators: Starting from relatively small se...
 25 9,566 85 3 View DOI