Dataset Families
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Alexandria
8 datasets
105K
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130M
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89
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5
Properties
Meta
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89
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4
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OC20
13 datasets
2,577
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271M
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56
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3
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OMol25
5 datasets
2,498
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142M
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83
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2
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JARVIS
33 datasets
1,853
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4.0M
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89
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7
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QM-22
14 datasets
1,539
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Elements
2
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OMat24
22 datasets
1,466
Downloads
101M
Configurations
89
Elements
3
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OC22
6 datasets
1,051
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18.0M
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57
Elements
2
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23-Single-Element-DNPs
24 datasets
937
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194K
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23
Elements
3
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ANI
9 datasets
819
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47.6M
Configurations
8
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2
Properties
Chig-AIMD
6 datasets
729
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4.0M
Configurations
4
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2
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sGDML
18 datasets
696
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281K
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4
Elements
2
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QM9
6 datasets
680
Downloads
706K
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5
Elements
3
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DFT_polymorphs_PNAS_2022
18 datasets
587
Downloads
125K
Configurations
4
Elements
3
Properties
ANI-2x
5 datasets
569
Downloads
47.1M
Configurations
7
Elements
2
Properties
WS22
10 datasets
554
Downloads
1.2M
Configurations
4
Elements
2
Properties
SAIT_semiconductors
10 datasets
457
Downloads
351K
Configurations
4
Elements
3
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Matbench
3 datasets
432
Downloads
257K
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84
Elements
2
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COMP6v2
4 datasets
423
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626K
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Elements
2
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CGM-MLP
14 datasets
419
Downloads
19.2K
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5
Elements
3
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mlearn
12 datasets
404
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1,566
Configurations
6
Elements
3
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Alex_MP-20
3 datasets
320
Downloads
675K
Configurations
76
Elements
2
Properties
3BPA
9 datasets
286
Downloads
14.0K
Configurations
4
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2
Properties
xxMD
6 datasets
250
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173K
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sAlex
2 datasets
239
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10.9M
Configurations
89
Elements
3
Properties
OMC25
2 datasets
213
Downloads
26.3M
Configurations
12
Elements
3
Properties
BOTNet
7 datasets
205
Downloads
2,363
Configurations
3
Elements
2
Properties
AENET
2 datasets
173
Downloads
53.8K
Configurations
4
Elements
2
Properties
HO_LiMoNiTi
5 datasets
168
Downloads
7,275
Configurations
6
Elements
2
Properties
discrepencies_and_error_metrics_NPJ_2023
5 datasets
168
Downloads
686
Configurations
1
Elements
2
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MAD
5 datasets
147
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99.6K
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89
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3
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Transition1x
3 datasets
141
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518K
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4
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2
Properties
HEA25
2 datasets
129
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40.6K
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25
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COLL
3 datasets
128
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139K
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3
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Vector-QM24
4 datasets
117
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1.1M
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2
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amorphous_carbon
3 datasets
101
Downloads
37.0K
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1
Elements
2
Properties
water_ice
3 datasets
100
Downloads
11.4K
Configurations
9
Elements
2
Properties
GST_GAP
3 datasets
88
Downloads
8,293
Configurations
3
Elements
3
Properties
Si-H-GAP
3 datasets
88
Downloads
656
Configurations
2
Elements
3
Properties
UNEP_v1
2 datasets
88
Downloads
109K
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Graphene
3 datasets
87
Downloads
811
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HME21
3 datasets
77
Downloads
24.9K
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37
Elements
2
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Carbon_GAP
2 datasets
76
Downloads
23.0K
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1
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3
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ANI-Al
2 datasets
70
Downloads
5,548
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1
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2
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doped_CsPbI3
2 datasets
69
Downloads
200
Configurations
5
Elements
3
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Si_Al_Ti_Seko
2 datasets
63
Downloads
40.1K
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3
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3
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NEP_qHPF
2 datasets
61
Downloads
276
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1
Elements
3
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Co_dimer
2 datasets
56
Downloads
3,952
Configurations
8
Elements
1
Properties
magnetic_MTP
2 datasets
55
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644
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2
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3
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CA-9
9 datasets
30
Downloads
20.0K
Configurations
1
Elements
3
Properties