Dataset Families
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Alexandria
8 datasets
107K
Downloads
130M
Configurations
89
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5
Properties
Meta
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18.4K
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678M
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89
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4
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JARVIS
33 datasets
4,926
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4.0M
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89
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7
Properties
OMol25
5 datasets
4,521
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142M
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83
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2
Properties
23-Single-Element-DNPs
24 datasets
3,249
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194K
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23
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Properties
OC20
13 datasets
3,230
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271M
Configurations
56
Elements
3
Properties
ANI
9 datasets
3,228
Downloads
47.6M
Configurations
8
Elements
2
Properties
ODAC25
4 datasets
2,982
Downloads
92.8M
Configurations
71
Elements
3
Properties
ANI-2x
5 datasets
2,899
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47.1M
Configurations
7
Elements
2
Properties
3BPA
9 datasets
2,433
Downloads
14.0K
Configurations
4
Elements
2
Properties
OC22
6 datasets
2,228
Downloads
18.0M
Configurations
57
Elements
2
Properties
Matbench
3 datasets
1,983
Downloads
257K
Configurations
84
Elements
2
Properties
OMat24
22 datasets
1,970
Downloads
101M
Configurations
89
Elements
3
Properties
QM-22
14 datasets
1,615
Downloads
946K
Configurations
4
Elements
2
Properties
sGDML
18 datasets
1,454
Downloads
281K
Configurations
4
Elements
2
Properties
sAlex
2 datasets
1,300
Downloads
10.9M
Configurations
89
Elements
3
Properties
mlearn
12 datasets
1,287
Downloads
1,566
Configurations
6
Elements
3
Properties
OC25
2 datasets
957
Downloads
7.6M
Configurations
73
Elements
2
Properties
OPoly26
2 datasets
931
Downloads
6.3M
Configurations
25
Elements
2
Properties
DFT_polymorphs_PNAS_2022
18 datasets
860
Downloads
125K
Configurations
4
Elements
3
Properties
Massive_Atomic_Diversity
9 datasets
760
Downloads
417K
Configurations
102
Elements
4
Properties
Chig-AIMD
6 datasets
734
Downloads
4.0M
Configurations
4
Elements
2
Properties
CGM-MLP
14 datasets
683
Downloads
19.2K
Configurations
5
Elements
3
Properties
WS22
10 datasets
668
Downloads
1.2M
Configurations
4
Elements
2
Properties
SAIT_semiconductors
10 datasets
558
Downloads
351K
Configurations
4
Elements
3
Properties
Alex_MP-20
3 datasets
494
Downloads
675K
Configurations
76
Elements
2
Properties
Massive_Atomic_Diversity_MAD_v1.5
4 datasets
487
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318K
Configurations
102
Elements
4
Properties
MSR-ACC-TAE25
3 datasets
443
Downloads
145K
Configurations
15
Elements
1
Properties
COMP6v2
4 datasets
434
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626K
Configurations
7
Elements
2
Properties
FeAl-mMTP
3 datasets
383
Downloads
1,662
Configurations
2
Elements
3
Properties
MatPES_2025
4 datasets
378
Downloads
1.6M
Configurations
89
Elements
5
Properties
BOTNet
7 datasets
365
Downloads
2,363
Configurations
3
Elements
2
Properties
CA-9
9 datasets
333
Downloads
122K
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1
Elements
3
Properties
HO_LiMoNiTi
5 datasets
330
Downloads
7,275
Configurations
6
Elements
2
Properties
OMC25
2 datasets
298
Downloads
26.3M
Configurations
12
Elements
3
Properties
xxMD
6 datasets
294
Downloads
173K
Configurations
5
Elements
2
Properties
GST_GAP
3 datasets
290
Downloads
8,293
Configurations
3
Elements
3
Properties
Massive_Atomic_Diversity_MAD_v1
5 datasets
273
Downloads
99.6K
Configurations
89
Elements
3
Properties
discrepencies_and_error_metrics_NPJ_2023
5 datasets
257
Downloads
686
Configurations
1
Elements
2
Properties
Transition1x
3 datasets
249
Downloads
518K
Configurations
4
Elements
2
Properties
AENET
2 datasets
223
Downloads
53.8K
Configurations
4
Elements
2
Properties
COLL
3 datasets
215
Downloads
139K
Configurations
3
Elements
3
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Si-H-GAP
3 datasets
214
Downloads
656
Configurations
2
Elements
3
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MatPES_2025.1
2 datasets
207
Downloads
822K
Configurations
89
Elements
3
Properties
amorphous_carbon
3 datasets
205
Downloads
37.0K
Configurations
1
Elements
2
Properties
water_ice
3 datasets
203
Downloads
11.4K
Configurations
9
Elements
2
Properties
HEA25
2 datasets
195
Downloads
40.6K
Configurations
25
Elements
3
Properties
Carbon_GAP
2 datasets
186
Downloads
23.0K
Configurations
1
Elements
3
Properties
Vector-QM24
4 datasets
172
Downloads
1.1M
Configurations
10
Elements
2
Properties
MatPES_2025.2
2 datasets
171
Downloads
819K
Configurations
89
Elements
5
Properties
HME21
3 datasets
155
Downloads
24.9K
Configurations
37
Elements
2
Properties
magnetic_MTP
2 datasets
148
Downloads
644
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2
Elements
3
Properties
doped_CsPbI3
2 datasets
133
Downloads
200
Configurations
5
Elements
3
Properties
NEP_qHPF
2 datasets
124
Downloads
276
Configurations
1
Elements
3
Properties
ANI-Al
2 datasets
117
Downloads
5,548
Configurations
1
Elements
2
Properties
Graphene
3 datasets
105
Downloads
811
Configurations
3
Elements
1
Properties
UNEP_v1
2 datasets
105
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109K
Configurations
16
Elements
3
Properties
Si_Al_Ti_Seko
2 datasets
65
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40.1K
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3
Elements
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Properties
Co_dimer
2 datasets
64
Downloads
3,952
Configurations
8
Elements
1
Properties