representation
stringclasses 10
values | task
stringclasses 4
values | size
stringclasses 4
values | size_num
int64 30k
2M
| is_classification
bool 1
class | mean_mae
float64 0.06
0.57
| std_mae
float64 0
0.14
| mean_rmse
float64 0.08
1.9
| std_rmse
float64 0
0.96
| mean_mape
float64 0.06
0.56
⌀ | std_mape
float64 0
0.05
⌀ | mean_max_error
float64 0.8
33.3
⌀ | std_max_error
float64 0.06
19
⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
local_env
|
gvrh
|
30k
| 30,000
| false
| 0.117159
| 0.005269
| 0.162322
| 0.006628
| 0.089817
| 0.003802
| 1.02167
| 0.168321
|
local_env
|
kvrh
|
30k
| 30,000
| false
| 0.101143
| 0.006515
| 0.157811
| 0.007967
| 0.067048
| 0.004892
| 1.144075
| 0.141126
|
local_env
|
perovskites
|
30k
| 30,000
| false
| 0.075699
| 0.004592
| 0.10402
| 0.004913
| 0.076586
| 0.005528
| 0.857398
| 0.100232
|
cif_p1
|
dielectric
|
30k
| 30,000
| false
| 0.481431
| 0.064744
| 1.81795
| 0.913582
| 0.16406
| 0.022767
| 32.438342
| 18.375167
|
cif_p1
|
kvrh
|
30k
| 30,000
| false
| 0.100076
| 0.002808
| 0.16433
| 0.002452
| 0.066919
| 0.002219
| 1.346699
| 0.216857
|
cif_p1
|
gvrh
|
30k
| 30,000
| false
| 0.11318
| 0.001929
| 0.162588
| 0.003512
| 0.087857
| 0.002479
| 1.144626
| 0.196901
|
cif_p1
|
perovskites
|
30k
| 30,000
| false
| 0.079269
| 0.006431
| 0.107849
| 0.005869
| 0.081695
| 0.007861
| 0.883537
| 0.119096
|
cif_symmetrized
|
dielectric
|
30k
| 30,000
| false
| 0.522715
| 0.084375
| 1.78868
| 0.929517
| 0.188961
| 0.030216
| 31.566891
| 18.738506
|
cif_symmetrized
|
kvrh
|
30k
| 30,000
| false
| 0.104397
| 0.004204
| 0.170622
| 0.008265
| 0.070445
| 0.004381
| 1.570249
| 0.321816
|
cif_symmetrized
|
gvrh
|
30k
| 30,000
| false
| 0.116252
| 0.003439
| 0.170543
| 0.007473
| 0.089046
| 0.003679
| 1.487721
| 0.406306
|
cif_symmetrized
|
perovskites
|
30k
| 30,000
| false
| 0.078086
| 0.006384
| 0.114009
| 0.00624
| 0.077625
| 0.009335
| 1.726346
| 0.854992
|
slices
|
dielectric
|
30k
| 30,000
| false
| 0.487519
| 0.140151
| 1.778797
| 0.952465
| 0.165631
| 0.035326
| 32.568421
| 18.145468
|
slices
|
kvrh
|
30k
| 30,000
| false
| 0.089826
| 0.002859
| 0.146536
| 0.002363
| 0.060188
| 0.002238
| 1.211283
| 0.10243
|
slices
|
gvrh
|
30k
| 30,000
| false
| 0.105885
| 0.004493
| 0.151603
| 0.003714
| 0.080507
| 0.002626
| 1.003736
| 0.176192
|
slices
|
perovskites
|
30k
| 30,000
| false
| 0.071891
| 0.005262
| 0.099926
| 0.00501
| 0.07593
| 0.00797
| 0.919348
| 0.171287
|
crystal_text_llm
|
dielectric
|
30k
| 30,000
| false
| 0.463642
| 0.074206
| 1.787805
| 0.959158
| 0.154285
| 0.020037
| 33.257379
| 18.841288
|
crystal_text_llm
|
kvrh
|
30k
| 30,000
| false
| 0.095363
| 0.005748
| 0.15071
| 0.007825
| 0.062857
| 0.003942
| 1.127029
| 0.135113
|
crystal_text_llm
|
gvrh
|
30k
| 30,000
| false
| 0.107726
| 0.0028
| 0.154641
| 0.003125
| 0.084094
| 0.003469
| 1.115579
| 0.185945
|
crystal_text_llm
|
perovskites
|
30k
| 30,000
| false
| 0.06981
| 0.004974
| 0.096556
| 0.005687
| 0.072469
| 0.007783
| 0.864433
| 0.071521
|
composition
|
dielectric
|
30k
| 30,000
| false
| 0.520172
| 0.078234
| 1.846082
| 0.924544
| 0.174416
| 0.010573
| 32.974686
| 18.412748
|
composition
|
kvrh
|
30k
| 30,000
| false
| 0.118499
| 0.005876
| 0.188577
| 0.007779
| 0.079073
| 0.00593
| 1.47388
| 0.270079
|
composition
|
gvrh
|
30k
| 30,000
| false
| 0.13552
| 0.004427
| 0.191806
| 0.00885
| 0.10386
| 0.003472
| 1.453818
| 0.399727
|
composition
|
perovskites
|
30k
| 30,000
| false
| 0.431773
| 0.006052
| 0.570718
| 0.007543
| 0.53407
| 0.03375
| 2.556175
| 0.186885
|
atom_sequences
|
dielectric
|
30k
| 30,000
| false
| 0.483735
| 0.096531
| 1.822929
| 0.910901
| 0.160006
| 0.013823
| 32.435362
| 18.162118
|
atom_sequences
|
kvrh
|
30k
| 30,000
| false
| 0.104933
| 0.002518
| 0.170032
| 0.004336
| 0.069253
| 0.003328
| 1.232811
| 0.315101
|
atom_sequences
|
gvrh
|
30k
| 30,000
| false
| 0.123337
| 0.005177
| 0.176525
| 0.00707
| 0.094528
| 0.004216
| 1.359517
| 0.250991
|
atom_sequences
|
perovskites
|
30k
| 30,000
| false
| 0.428079
| 0.008915
| 0.559516
| 0.007933
| 0.543719
| 0.041577
| 2.191738
| 0.120836
|
atom_sequences_plusplus
|
dielectric
|
30k
| 30,000
| false
| 0.482589
| 0.072872
| 1.762206
| 0.925033
| 0.166121
| 0.035927
| 31.176044
| 17.733063
|
atom_sequences_plusplus
|
kvrh
|
30k
| 30,000
| false
| 0.107279
| 0.003359
| 0.173768
| 0.004803
| 0.071128
| 0.003035
| 1.3526
| 0.250033
|
atom_sequences_plusplus
|
gvrh
|
30k
| 30,000
| false
| 0.121494
| 0.004919
| 0.171762
| 0.004533
| 0.092162
| 0.00169
| 1.08647
| 0.211513
|
atom_sequences_plusplus
|
perovskites
|
30k
| 30,000
| false
| 0.218868
| 0.006968
| 0.328113
| 0.006523
| 0.225274
| 0.02941
| 2.988352
| 0.176848
|
zmatrix
|
dielectric
|
30k
| 30,000
| false
| 0.489185
| 0.108185
| 1.770691
| 0.921525
| 0.166757
| 0.029082
| 31.428897
| 17.925437
|
zmatrix
|
kvrh
|
30k
| 30,000
| false
| 0.100011
| 0.005755
| 0.161347
| 0.006794
| 0.06666
| 0.003882
| 1.256822
| 0.186438
|
zmatrix
|
gvrh
|
30k
| 30,000
| false
| 0.116289
| 0.002326
| 0.165005
| 0.004073
| 0.088286
| 0.001933
| 1.223177
| 0.392318
|
zmatrix
|
perovskites
|
30k
| 30,000
| false
| 0.077149
| 0.006904
| 0.106797
| 0.005575
| 0.076737
| 0.007562
| 0.974356
| 0.201393
|
local_env
|
gvrh
|
100k
| 100,000
| false
| 0.110698
| 0.002317
| 0.154108
| 0.004321
| 0.08415
| 0.001696
| 1.110021
| 0.321218
|
local_env
|
kvrh
|
100k
| 100,000
| false
| 0.097942
| 0.005553
| 0.152871
| 0.004428
| 0.064037
| 0.003257
| 1.206892
| 0.269778
|
local_env
|
perovskites
|
100k
| 100,000
| false
| 0.076235
| 0.004384
| 0.103999
| 0.005645
| 0.076642
| 0.004461
| 0.924888
| 0.076174
|
cif_p1
|
dielectric
|
100k
| 100,000
| false
| 0.44614
| 0.077446
| 1.763016
| 0.927738
| 0.146566
| 0.018997
| 32.141839
| 17.471977
|
cif_p1
|
kvrh
|
100k
| 100,000
| false
| 0.098884
| 0.002382
| 0.162392
| 0.003434
| 0.067165
| 0.002522
| 1.30848
| 0.187036
|
cif_p1
|
gvrh
|
100k
| 100,000
| false
| 0.114534
| 0.003814
| 0.162276
| 0.004393
| 0.087813
| 0.002227
| 1.041121
| 0.190695
|
cif_p1
|
perovskites
|
100k
| 100,000
| false
| 0.067533
| 0.005907
| 0.094978
| 0.007199
| 0.070668
| 0.007383
| 0.948674
| 0.151341
|
cif_symmetrized
|
dielectric
|
100k
| 100,000
| false
| 0.524287
| 0.082279
| 1.779568
| 0.938712
| 0.189451
| 0.029786
| 32.059346
| 18.241319
|
cif_symmetrized
|
kvrh
|
100k
| 100,000
| false
| 0.107377
| 0.005813
| 0.172917
| 0.009933
| 0.072089
| 0.004169
| 1.526494
| 0.254287
|
cif_symmetrized
|
gvrh
|
100k
| 100,000
| false
| 0.117503
| 0.004574
| 0.171782
| 0.008357
| 0.089235
| 0.004024
| 1.504842
| 0.42695
|
cif_symmetrized
|
perovskites
|
100k
| 100,000
| false
| 0.07575
| 0.006499
| 0.10911
| 0.008467
| 0.075317
| 0.00758
| 1.282731
| 0.426913
|
slices
|
dielectric
|
100k
| 100,000
| false
| 0.488208
| 0.091481
| 1.819439
| 0.923585
| 0.169674
| 0.018786
| 32.878845
| 18.540769
|
slices
|
kvrh
|
100k
| 100,000
| false
| 0.095333
| 0.006602
| 0.152282
| 0.006815
| 0.063127
| 0.005233
| 1.329458
| 0.23362
|
slices
|
gvrh
|
100k
| 100,000
| false
| 0.10671
| 0.005022
| 0.151855
| 0.006276
| 0.081178
| 0.004147
| 1.083625
| 0.213529
|
slices
|
perovskites
|
100k
| 100,000
| false
| 0.075361
| 0.006514
| 0.103493
| 0.007114
| 0.074922
| 0.005308
| 0.851075
| 0.067837
|
crystal_text_llm
|
dielectric
|
100k
| 100,000
| false
| 0.469791
| 0.124456
| 1.764243
| 0.959229
| 0.161315
| 0.023984
| 32.6006
| 18.325995
|
crystal_text_llm
|
kvrh
|
100k
| 100,000
| false
| 0.091404
| 0.003817
| 0.147908
| 0.006173
| 0.060718
| 0.002734
| 1.200067
| 0.2429
|
crystal_text_llm
|
gvrh
|
100k
| 100,000
| false
| 0.106614
| 0.005343
| 0.153048
| 0.005427
| 0.082154
| 0.00582
| 1.005411
| 0.106768
|
crystal_text_llm
|
perovskites
|
100k
| 100,000
| false
| 0.057251
| 0.003102
| 0.08458
| 0.003909
| 0.057906
| 0.002368
| 0.965696
| 0.061973
|
composition
|
dielectric
|
100k
| 100,000
| false
| 0.56539
| 0.06915
| 1.897155
| 0.890438
| 0.202294
| 0.02612
| 33.083488
| 18.841372
|
composition
|
kvrh
|
100k
| 100,000
| false
| 0.117154
| 0.003708
| 0.187301
| 0.007845
| 0.078232
| 0.004191
| 1.456778
| 0.172151
|
composition
|
gvrh
|
100k
| 100,000
| false
| 0.13594
| 0.003956
| 0.192037
| 0.006335
| 0.103951
| 0.003525
| 1.336189
| 0.32013
|
composition
|
perovskites
|
100k
| 100,000
| false
| 0.433944
| 0.005568
| 0.572717
| 0.007847
| 0.543532
| 0.012214
| 2.424764
| 0.129646
|
atom_sequences
|
dielectric
|
100k
| 100,000
| false
| 0.454854
| 0.082335
| 1.81165
| 0.904714
| 0.148756
| 0.016193
| 32.462081
| 18.050555
|
atom_sequences
|
kvrh
|
100k
| 100,000
| false
| 0.104068
| 0.006576
| 0.169294
| 0.008052
| 0.069214
| 0.005056
| 1.297206
| 0.3295
|
atom_sequences
|
gvrh
|
100k
| 100,000
| false
| 0.122255
| 0.004096
| 0.175422
| 0.005235
| 0.094041
| 0.002105
| 1.405509
| 0.250857
|
atom_sequences
|
perovskites
|
100k
| 100,000
| false
| 0.428751
| 0.004675
| 0.561463
| 0.005115
| 0.539846
| 0.045814
| 2.294478
| 0.128713
|
atom_sequences_plusplus
|
dielectric
|
100k
| 100,000
| false
| 0.480285
| 0.062949
| 1.780446
| 0.933011
| 0.163605
| 0.014088
| 31.586189
| 17.846655
|
atom_sequences_plusplus
|
kvrh
|
100k
| 100,000
| false
| 0.102026
| 0.004135
| 0.164458
| 0.002808
| 0.067597
| 0.002943
| 1.302108
| 0.26827
|
atom_sequences_plusplus
|
gvrh
|
100k
| 100,000
| false
| 0.118614
| 0.002365
| 0.167278
| 0.001896
| 0.090279
| 0.001735
| 1.058842
| 0.154003
|
atom_sequences_plusplus
|
perovskites
|
100k
| 100,000
| false
| 0.216566
| 0.007622
| 0.328942
| 0.005759
| 0.219775
| 0.016088
| 2.838959
| 0.151818
|
zmatrix
|
dielectric
|
100k
| 100,000
| false
| 0.498567
| 0.077133
| 1.786656
| 0.936696
| 0.173445
| 0.018695
| 32.663301
| 18.738487
|
zmatrix
|
kvrh
|
100k
| 100,000
| false
| 0.095917
| 0.002907
| 0.154818
| 0.004015
| 0.064011
| 0.002898
| 1.189852
| 0.178036
|
zmatrix
|
gvrh
|
100k
| 100,000
| false
| 0.109316
| 0.002038
| 0.157534
| 0.004
| 0.085125
| 0.002786
| 1.128822
| 0.16137
|
zmatrix
|
perovskites
|
100k
| 100,000
| false
| 0.068683
| 0.00766
| 0.096375
| 0.007309
| 0.069646
| 0.008091
| 0.861524
| 0.115996
|
local_env
|
gvrh
|
300k
| 300,000
| false
| 0.109598
| 0.003555
| 0.152237
| 0.005867
| 0.082983
| 0.002772
| 1.061212
| 0.200995
|
local_env
|
kvrh
|
300k
| 300,000
| false
| 0.092788
| 0.00351
| 0.145917
| 0.004523
| 0.061208
| 0.001864
| 1.211481
| 0.257056
|
local_env
|
perovskites
|
300k
| 300,000
| false
| 0.070087
| 0.004962
| 0.098423
| 0.003727
| 0.072452
| 0.002726
| 0.87084
| 0.058065
|
cif_p1
|
dielectric
|
300k
| 300,000
| false
| 0.460205
| 0.060347
| 1.783518
| 0.925429
| 0.158817
| 0.014413
| 32.883651
| 18.381515
|
cif_p1
|
kvrh
|
300k
| 300,000
| false
| 0.095134
| 0.005264
| 0.154373
| 0.005318
| 0.063689
| 0.003828
| 1.23285
| 0.093291
|
cif_p1
|
gvrh
|
300k
| 300,000
| false
| 0.108503
| 0.001835
| 0.154842
| 0.003219
| 0.083544
| 0.002617
| 1.256097
| 0.293854
|
cif_p1
|
perovskites
|
300k
| 300,000
| false
| 0.074646
| 0.006967
| 0.103043
| 0.007992
| 0.073593
| 0.007209
| 0.905805
| 0.094767
|
cif_symmetrized
|
dielectric
|
300k
| 300,000
| false
| 0.471377
| 0.080096
| 1.809348
| 0.929171
| 0.156515
| 0.012756
| 32.498778
| 17.851127
|
cif_symmetrized
|
kvrh
|
300k
| 300,000
| false
| 0.10004
| 0.004154
| 0.163656
| 0.006337
| 0.067023
| 0.004444
| 1.393079
| 0.171207
|
cif_symmetrized
|
gvrh
|
300k
| 300,000
| false
| 0.115703
| 0.002389
| 0.167622
| 0.002929
| 0.089433
| 0.0027
| 1.357465
| 0.182106
|
cif_symmetrized
|
perovskites
|
300k
| 300,000
| false
| 0.082426
| 0.00761
| 0.116627
| 0.009356
| 0.086589
| 0.00629
| 1.162272
| 0.181154
|
slices
|
dielectric
|
300k
| 300,000
| false
| 0.467502
| 0.125632
| 1.793591
| 0.964088
| 0.157331
| 0.031197
| 33.055423
| 18.985545
|
slices
|
kvrh
|
300k
| 300,000
| false
| 0.088888
| 0.005833
| 0.144786
| 0.006511
| 0.059031
| 0.004044
| 1.213802
| 0.143719
|
slices
|
gvrh
|
300k
| 300,000
| false
| 0.10491
| 0.003205
| 0.149146
| 0.004839
| 0.08032
| 0.002391
| 1.008984
| 0.183447
|
slices
|
perovskites
|
300k
| 300,000
| false
| 0.070801
| 0.006035
| 0.09857
| 0.006581
| 0.073115
| 0.00716
| 0.90065
| 0.131379
|
crystal_text_llm
|
dielectric
|
300k
| 300,000
| false
| 0.466389
| 0.084824
| 1.792851
| 0.953231
| 0.158104
| 0.029399
| 33.117787
| 18.50271
|
crystal_text_llm
|
kvrh
|
300k
| 300,000
| false
| 0.087474
| 0.003664
| 0.144831
| 0.005766
| 0.058377
| 0.003291
| 1.167051
| 0.137813
|
crystal_text_llm
|
gvrh
|
300k
| 300,000
| false
| 0.101885
| 0.002042
| 0.148268
| 0.00297
| 0.078669
| 0.002084
| 1.089351
| 0.224751
|
crystal_text_llm
|
perovskites
|
300k
| 300,000
| false
| 0.066695
| 0.002705
| 0.093545
| 0.003334
| 0.069755
| 0.005793
| 0.798086
| 0.089258
|
composition
|
dielectric
|
300k
| 300,000
| false
| 0.553867
| 0.071825
| 1.848961
| 0.933127
| 0.198173
| 0.02853
| 32.895308
| 18.546449
|
composition
|
kvrh
|
300k
| 300,000
| false
| 0.116387
| 0.004451
| 0.185821
| 0.006482
| 0.076482
| 0.00438
| 1.630472
| 0.450197
|
composition
|
gvrh
|
300k
| 300,000
| false
| 0.131902
| 0.004726
| 0.189622
| 0.00876
| 0.101238
| 0.004865
| 1.516083
| 0.381986
|
composition
|
perovskites
|
300k
| 300,000
| false
| 0.430151
| 0.005056
| 0.566835
| 0.005041
| 0.535677
| 0.037133
| 2.457648
| 0.197571
|
atom_sequences
|
dielectric
|
300k
| 300,000
| false
| 0.469404
| 0.087637
| 1.806008
| 0.91761
| 0.158727
| 0.015069
| 31.999723
| 17.711924
|
atom_sequences
|
kvrh
|
300k
| 300,000
| false
| 0.107521
| 0.005525
| 0.177121
| 0.007783
| 0.071274
| 0.004306
| 1.372702
| 0.339101
|
atom_sequences
|
gvrh
|
300k
| 300,000
| false
| 0.12501
| 0.003166
| 0.178431
| 0.005016
| 0.095773
| 0.002182
| 1.31213
| 0.271458
|
atom_sequences
|
perovskites
|
300k
| 300,000
| false
| 0.431575
| 0.007619
| 0.563975
| 0.007144
| 0.561607
| 0.042716
| 2.216836
| 0.124327
|
atom_sequences_plusplus
|
dielectric
|
300k
| 300,000
| false
| 0.4782
| 0.091773
| 1.758435
| 0.927395
| 0.160093
| 0.031128
| 31.443008
| 17.892918
|
atom_sequences_plusplus
|
kvrh
|
300k
| 300,000
| false
| 0.097257
| 0.006695
| 0.159761
| 0.005403
| 0.064459
| 0.005983
| 1.343321
| 0.180824
|
atom_sequences_plusplus
|
gvrh
|
300k
| 300,000
| false
| 0.11272
| 0.002915
| 0.161383
| 0.002857
| 0.086051
| 0.00149
| 1.173647
| 0.255402
|
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