Index

AI model contributions

  • Number of contributions: 607
CategorySub-categoryBenchmarkMethodMetricScoreTeamDatasetSize
AISinglePropertyPredictiondft_3d_ph_heat_capacitymatminer_rfMAE5.2757UofTdft_3d12054
AISinglePropertyPredictiondft_3d_dfpt_piezo_max_dijkgcnn_coNGNMAE13.8868kgcnndft_3d3345
AISinglePropertyPredictiondft_3d_max_efgalignn_modelMAE19.1211ALIGNNdft_3d11865
AISinglePropertyPredictiondft_3d_bulk_modulus_kvkgcnn_coNGNMAE8.7022kgcnndft_3d19680
AISinglePropertyPredictiondft_3d_kpoint_length_unitmatminer_xgboostMAE9.047UofTdft_3d55392
AISinglePropertyPredictiondft_3d_avg_elec_massalignn_modelMAE0.0853ALIGNNdft_3d17642
AISinglePropertyPredictiondft_3d_ehullkgcnn_coGNMAE0.0466kgcnndft_3d55364
AISinglePropertyPredictiondft_3d_avg_hole_massalignn_modelMAE0.1239ALIGNNdft_3d17642
AISinglePropertyPredictiondft_3d_epszkgcnn_coNGNMAE17.8104kgcnndft_3d44490
AISinglePropertyPredictiondft_3d_optb88vdw_total_energykgcnn_coGNMAE0.0262kgcnndft_3d55713
AISinglePropertyPredictiondft_3d_epsxkgcnn_coNGNMAE18.5738kgcnndft_3d44490
AISinglePropertyPredictiondft_3d_slmekgcnn_coNGNMAE4.4428kgcnndft_3d9062
AISinglePropertyPredictiondft_3d_optb88vdw_bandgapkgcnn_coGNMAE0.1219kgcnndft_3d55713
AISinglePropertyPredictiondft_3d_spillagekgcnn_coNGNMAE0.3463kgcnndft_3d11375
AISinglePropertyPredictiondft_3d_n_Seebeckkgcnn_coGNMAE39.2692kgcnndft_3d23210
AISinglePropertyPredictiondft_3d_n_powerfactalignn_modelMAE442.2993ALIGNNdft_3d23210
AISinglePropertyPredictiondft_3d_magmom_oszicarkgcnn_coNGNMAE0.2437kgcnndft_3d52210
AISinglePropertyPredictiondft_3d_formation_energy_peratomkgcnn_coGNMAE0.0271kgcnndft_3d55713
AISinglePropertyPredictiondft_3d_mepsxkgcnn_coNGNMAE23.3801kgcnndft_3d16809
AISinglePropertyPredictiondft_3d_shear_modulus_gvkgcnn_coNGNMAE8.4881kgcnndft_3d19680
AISinglePropertyPredictiondft_3d_mepszkgcnn_coNGNMAE22.842kgcnndft_3d16809
AISinglePropertyPredictiondft_3d_dfpt_piezo_max_dielectrickgcnn_coNGNMAE25.5553kgcnndft_3d4704
AISinglePropertyPredictiondft_3d_exfoliation_energymatminer_xgboostMAE40.887UofTdft_3d812
AISinglePropertyPredictiondft_3d_mepsykgcnn_coNGNMAE23.3299kgcnndft_3d16809
AISinglePropertyPredictiondft_3d_mbj_bandgapkgcnn_coGNMAE0.264kgcnndft_3d18167
AISinglePropertyPredictiondft_3d_epsykgcnn_coNGNMAE18.5923kgcnndft_3d44490
AISinglePropertyPredictiondft_3d_encutkgcnn_coNGNMAE129.8266kgcnndft_3d55386
AISinglePropertyPredictionocp10k_relaxed_energyalignn_modelMAE0.7623ALIGNNocp10k59886
AITextClassarXiv_categoriessvc_model_text_abstractACC0.9082ChemNLParXiv100994
AITextClasspubchem_categorieslogisticreg_model_text_title_abstractACC0.9674ChemNLPpubchem44500
AIMLFFmlearn_Mo_energysnap_mlearnMAE0.9078JARVISmlearn_Mo217
AIMLFFmlearn_Cu_forcesmatgl_mlearnMULTIMAE0.017749048098047573Matglmlearn_Cu293
AIMLFFmlearn_Ni_stressesmatgl_pretrainedMULTIMAE38.842144743058384Matglmlearn_Ni294
AIMLFFmlearn_Ni_forcessnap_mlearnMULTIMAE0.06181732186425153JARVISmlearn_Ni294
AIMLFFmlearn_Ge_energyalignnff_mlearn_all_wt1MAE1.5227JARVISmlearn_Ge253
AIMLFFmlearn_Ge_forcesalignnff_mlearn_all_wt1MULTIMAE0.07201822622548142JARVISmlearn_Ge253
AIMLFFmlearn_Li_stressesmatgl_pretrainedMULTIMAE4.565046531310405Matglmlearn_Li270
AIMLFFmlearn_Li_energysnap_mlearnMAE0.1017JARVISmlearn_Li270
AIMLFFmlearn_Cu_energymatgl_mlearnMAE0.8696Matglmlearn_Cu293
AIMLFFmlearn_Mo_forcessnap_mlearnMULTIMAE0.18434104563832232JARVISmlearn_Mo217
AIMLFFmlearn_Li_forcessnap_mlearnMULTIMAE0.02733803004038507JARVISmlearn_Li270
AIMLFFmlearn_Si_stressesmatgl_pretrainedMULTIMAE12.36785590532479Matglmlearn_Si239
AIMLFFmlearn_Si_energymatgl_mlearnMAE0.8759Matglmlearn_Si239
AIMLFFmlearn_Mo_stressesalignnff_mlearn_all_wt1MULTIMAE44.869556923541296JARVISmlearn_Mo217
AIMLFFmlearn_Ge_stressesmatgl_pretrainedMULTIMAE9.843460590954754Matglmlearn_Ge253
AIMLFFmlearn_Ni_energysnap_mlearnMAE1.6742JARVISmlearn_Ni294
AIMLFFmlearn_Si_forcesalignnff_mlearn_wt1MULTIMAE0.06942387617720659JARVISmlearn_Si239
AIMLFFmlearn_Cu_stressesmatgl_pretrainedMULTIMAE29.08125948284852Matglmlearn_Cu293
AITextGenarxiv_gen_textChatGPT_May23ROUGE0.3006ChatGPTarxiv_gen490
AISinglePropertyPredictionssub_formula_energyElemNet2_TLMAE0.0924NorthWestern_Universityssub1726
AISinglePropertyPredictionsupercon_chem_Tcmatminer_rfMAE4.8511UofTsupercon_chem16414
AISinglePropertyPredictionmag2d_chem_magnetic_momentElemNet2_TLMAE0.2997NorthWestern_Universitymag2d_chem226
AIMLFFalignn_ff_db_energyalignnff_pretrained_wt0.1MAE0.0342JARVISalignn_ff_db307111
AISinglePropertyPredictionvacancydb_2D_efalignnff_pretrained_wt0.1MAE1.0018JARVISvacancydb_2D72
AISinglePropertyPredictionvacancydb_oxides_efalignnff_pretrained_wt0.1MAE0.6091JARVISvacancydb_oxides65
AISinglePropertyPredictionvacancydb_elements_efalignnff_pretrained_wt0.1MAE1.1992JARVISvacancydb_elements74
AISinglePropertyPredictionvacancydb_efalignnff_pretrained_wt0.1MAE0.8739JARVISvacancydb530
AISinglePropertyPredictionocp100k_relaxed_energyalignn_modelMAE0.6289ALIGNNocp100k149886
AISinglePropertyPredictionqe_tb_final_energykgcnn_coGNMAE1.3185kgcnnqe_tb829574
AISinglePropertyPredictionqe_tb_indir_gapmatminer_rfMAE0.0278UofTqe_tb829574
AISinglePropertyPredictionqe_tb_f_enpkgcnn_coGNMAE0.0956kgcnnqe_tb829574
AISinglePropertyPredictionqe_tb_energy_per_atomkgcnn_coGNMAE0.0636kgcnnqe_tb829574
AIImageClassstem_2d_image_bravais_classdensenet_modelACC0.8304JARVISstem_2d_image9150
AITokenClassmat_scholar_ner_labelstransformers_xlnetACC0.7481ChemNLPmat_scholar_ner123267
AISinglePropertyPredictionqmof_bandgapalignn_modelMAE0.2019ALIGNNqmof20424
AISinglePropertyClassdft_3d_n_powerfactmatminer_xgboostACC0.8186UofTdft_3d23210
AISinglePropertyPredictionmegnet_e_formalignn_modelMAE0.0221ALIGNNmegnet69239
AISinglePropertyClassdft_3d_slmematminer_rfACC0.8422UofTdft_3d9062
AISinglePropertyPredictionhmof_max_co2_adspmatminer_xgboostMAE0.4622UofThmof137651
AISinglePropertyPredictionsnumat_Band_gap_HSEalignn_modelMAE0.3765ALIGNNsnumat10386
AISinglePropertyPredictionhmof_lcdmatminer_xgboostMAE0.4585UofThmof137651
AISinglePropertyClassdft_3d_optb88vdw_bandgapmatminer_xgboostACC0.9361UofTdft_3d55713
AISinglePropertyClassdft_3d_p_Seebeckmatminer_xgboostACC0.9332UofTdft_3d23210
AISinglePropertyPredictionmegnet_gappbealignn_modelMAE0.218ALIGNNmegnet69239
AISinglePropertyClassdft_3d_magmom_oszicarmatminer_xgboostACC0.9489UofTdft_3d52210
AISinglePropertyClassdft_3d_spillagematminer_xgboostACC0.8364UofTdft_3d11375
AISinglePropertyPredictionhmof_pldmatminer_xgboostMAE0.5728UofThmof137651
AISinglePropertyPredictionhmof_void_fractionalignn_modelMAE0.0174ALIGNNhmof137651
AISinglePropertyPredictionhmof_min_co2_adspalignn_modelMAE0.0383ALIGNNhmof137651
AISinglePropertyClassdft_3d_mbj_bandgapmatminer_xgboostACC0.9399UofTdft_3d18167
AISinglePropertyPredictionhmof_surface_area_m2galignn_modelMAE91.1502ALIGNNhmof137651
AISinglePropertyPredictionhmof_surface_area_m2cm3matminer_xgboostMAE83.3575UofThmof137651
AITextSummaryarxiv_summary_texttransformers_t5_baseROUGE0.2602ChemNLParxiv_summary87148
AIMLFFalignn_ff_db_forcesm3gnet_pretrainedMULTIMAE0.08448789649784973M3GNETalignn_ff_db307111
AISinglePropertyPredictionqm9_std_jctc_Galignn_modelMAE0.0133ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionAGRA_COOH_eadalignn_modelMAE0.0485ALIGNNAGRA_COOH280
AISinglePropertyPredictionqm9_std_jctc_ZPVEalignn_modelMAE0.0019ALIGNNqm9_std_jctc130829
AISinglePropertyPredictiontinnet_OH_eadalignn_modelMAE0.0882ALIGNNtinnet_OH746
AISinglePropertyPredictionAGRA_OH_eadalignn_modelMAE0.0762ALIGNNAGRA_OH875
AISinglePropertyPredictionqm9_std_jctc_gapalignn_modelMAE0.0345ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionhalide_peroskites_HSE_gapalignn_modelMAE0.1615ALIGNNhalide_peroskites229
AISinglePropertyPredictionqm9_std_jctc_R2alignn_modelMAE0.6523ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionAGRA_CO_eadalignn_modelMAE0.1349ALIGNNAGRA_CO193
AISinglePropertyPredictionqm9_std_jctc_alphaalignn_modelMAE0.0557ALIGNNqm9_std_jctc130829
AISinglePropertyPredictiontinnet_N_eadalignn_modelMAE0.0871ALIGNNtinnet_N327
AISinglePropertyPredictionocp_all_relaxed_energyalignn_modelMAE0.5989ALIGNNocp_all510214
AISinglePropertyPredictionqm9_std_jctc_Ualignn_modelMAE0.0138ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_LUMOalignn_modelMAE0.0175ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_U0alignn_modelMAE0.0146ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionhalide_peroskites_PBE_decomp_energyalignn_modelMAE0.0477ALIGNNhalide_peroskites229
AISinglePropertyPredictionAGRA_O_eadalignn_modelMAE0.1134ALIGNNAGRA_O1000
AISinglePropertyPredictionAGRA_CHO_eadalignn_modelMAE0.1062ALIGNNAGRA_CHO214
AISinglePropertyPredictionhalide_peroskites_Ref_indalignn_modelMAE0.0233ALIGNNhalide_peroskites229
AISpectraedos_pdos_ph_dosalignn_modelMULTIMAE0.05772635693310998ALIGNNedos_pdos14243
AISinglePropertyPredictionqm9_std_jctc_Cvalignn_modelMAE0.0239ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionhalide_peroskites_HSE_decomp_energyalignn_modelMAE0.0512ALIGNNhalide_peroskites229
AISinglePropertyPredictiontinnet_O_eadalignn_modelMAE0.3694ALIGNNtinnet_O745
AISinglePropertyPredictionqm9_std_jctc_mualignn_modelMAE0.0248ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionhalide_peroskites_PBE_gapalignn_modelMAE0.1223ALIGNNhalide_peroskites229
AISinglePropertyPredictionqm9_std_jctc_HOMOalignn_modelMAE0.0187ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_Halignn_modelMAE0.014ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionvacancydb_oxides_train_test_efcrystal_feature_modelMAE0.7Crystal_Featuresvacancydb_oxides_train_test30
AIAtomGencarbon24_energy_per_atomcdvae_modelRMSE0.3581CDVAEcarbon2410153
AIAtomGendft_3d_Tc_superconcdvae_modelRMSE0.3557CDVAEdft_3d1056
AISinglePropertyPredictionmxene275_formation_energymxene_alignnMAE0.0561MXene_ALIGNNmxene275274