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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