AI model contributions Number of contributions: 587 CategorySub-categoryBenchmarkMethodMetricScoreTeamDatasetSizeAIMLFFmlearn_Ni_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0448JARVISmlearn_Ni294AIMLFFmlearn_Ni_energyalignnff_mlearn_onlyMAE1.4316JARVISmlearn_Ni294AISinglePropertyPredictionocp100k_relaxed_energyalignn_modelMAE0.6289ALIGNNocp100k149886AISinglePropertyPredictionmag2d_chem_magnetic_momentElemNet2_TLMAE0.2997NorthWestern_Universitymag2d_chem226AISinglePropertyPredictionssub_formula_energyElemNet2_TLMAE0.0924NorthWestern_Universityssub1726AISinglePropertyPredictionsupercon_chem_Tcmatminer_rfMAE4.8511UofTsupercon_chem16414AITextClasspubchem_categorieslogisticreg_model_text_title_abstractACC0.9674ChemNLPpubchem44500AITextClassarXiv_categoriessvc_model_text_abstractACC0.9082ChemNLParXiv100994AIMLFFalignn_ff_db_energyalignnff_wt0.1MAE0.0342JARVISalignn_ff_db307111AISinglePropertyPredictionocp10k_relaxed_energyalignn_modelMAE0.7623ALIGNNocp10k59886AIMLFFmlearn_Li_energyalignnff_fmult_mlearn_onlyMAE0.2735JARVISmlearn_Li270AIMLFFmlearn_Cu_energyalignnff_mlearn_onlyMAE1.0104JARVISmlearn_Cu293AIMLFFmlearn_Si_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0885JARVISmlearn_Si239AIMLFFmlearn_Mo_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.1229JARVISmlearn_Mo217AIMLFFmlearn_Ge_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0726JARVISmlearn_Ge253AIMLFFmlearn_Ge_energyalignnff_fmult_mlearn_onlyMAE0.9439JARVISmlearn_Ge253AIMLFFmlearn_Li_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0339JARVISmlearn_Li270AIMLFFalignn_ff_db_forcesm3gnet_pretrainedMULTIMAE0.0887M3GNETalignn_ff_db307111AIMLFFmlearn_Mo_energyalignnff_fmult_mlearn_onlyMAE1.1066JARVISmlearn_Mo217AIMLFFmlearn_Si_energyalignnff_mlearn_onlyMAE1.0688JARVISmlearn_Si239AIMLFFmlearn_Cu_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0357JARVISmlearn_Cu293AISinglePropertyPredictiondft_3d_slmekgcnn_coNGNMAE4.4428kgcnndft_3d9062AISinglePropertyPredictiondft_3d_exfoliation_energymatminer_xgboostMAE40.887UofTdft_3d812AISinglePropertyPredictiondft_3d_epsxkgcnn_coNGNMAE18.5738kgcnndft_3d44490AISinglePropertyPredictiondft_3d_avg_hole_massalignn_modelMAE0.1239ALIGNNdft_3d17642AISinglePropertyPredictiondft_3d_magmom_oszicarkgcnn_coNGNMAE0.2437kgcnndft_3d52210AISinglePropertyPredictiondft_3d_mepsxkgcnn_coNGNMAE23.3801kgcnndft_3d16809AISinglePropertyPredictiondft_3d_max_efgalignn_modelMAE19.1211ALIGNNdft_3d11865AISinglePropertyPredictiondft_3d_mepsykgcnn_coNGNMAE23.3299kgcnndft_3d16809AISinglePropertyPredictiondft_3d_formation_energy_peratomkgcnn_coGNMAE0.0271kgcnndft_3d55713AISinglePropertyPredictiondft_3d_optb88vdw_bandgapkgcnn_coGNMAE0.1219kgcnndft_3d55713AISinglePropertyPredictiondft_3d_n_Seebeckkgcnn_coGNMAE39.2692kgcnndft_3d23210AISinglePropertyPredictiondft_3d_optb88vdw_total_energykgcnn_coGNMAE0.0262kgcnndft_3d55713AISinglePropertyPredictiondft_3d_encutkgcnn_coNGNMAE129.8266kgcnndft_3d55386AISinglePropertyPredictiondft_3d_ehullkgcnn_coGNMAE0.0466kgcnndft_3d55364AISinglePropertyPredictiondft_3d_dfpt_piezo_max_dijkgcnn_coNGNMAE13.8868kgcnndft_3d3345AISinglePropertyPredictiondft_3d_n_powerfactalignn_modelMAE442.2993ALIGNNdft_3d23210AISinglePropertyPredictiondft_3d_kpoint_length_unitmatminer_xgboostMAE9.047UofTdft_3d55392AISinglePropertyPredictiondft_3d_spillagekgcnn_coNGNMAE0.3463kgcnndft_3d11375AISinglePropertyPredictiondft_3d_shear_modulus_gvkgcnn_coNGNMAE8.4881kgcnndft_3d19680AISinglePropertyPredictiondft_3d_dfpt_piezo_max_dielectrickgcnn_coNGNMAE25.5553kgcnndft_3d4704AISinglePropertyPredictiondft_3d_mepszkgcnn_coNGNMAE22.842kgcnndft_3d16809AISinglePropertyPredictiondft_3d_avg_elec_massalignn_modelMAE0.0853ALIGNNdft_3d17642AISinglePropertyPredictiondft_3d_ph_heat_capacitymatminer_rfMAE5.2757UofTdft_3d12054AISinglePropertyPredictiondft_3d_epszkgcnn_coNGNMAE17.8104kgcnndft_3d44490AISinglePropertyPredictiondft_3d_mbj_bandgapkgcnn_coGNMAE0.264kgcnndft_3d18167AISinglePropertyPredictiondft_3d_epsykgcnn_coNGNMAE18.5923kgcnndft_3d44490AISinglePropertyPredictiondft_3d_bulk_modulus_kvkgcnn_coNGNMAE8.7022kgcnndft_3d19680AITokenClassmat_scholar_ner_labelstransformers_xlnetACC0.7481ChemNLPmat_scholar_ner123267AIAtomGencarbon24_energy_per_atomcdvae_modelRMSE0.3581CDVAEcarbon2410153AIAtomGendft_3d_Tc_superconcdvae_modelRMSE0.3557CDVAEdft_3d1056AITextGenarxiv_gen_textChatGPT_May24ROUGE0.2997ChatGPTarxiv_gen490AISinglePropertyPredictionqe_tb_energy_per_atomkgcnn_coGNMAE0.0636kgcnnqe_tb829574AISinglePropertyPredictionqe_tb_final_energykgcnn_coGNMAE1.3185kgcnnqe_tb829574AISinglePropertyPredictionqe_tb_f_enpkgcnn_coGNMAE0.0956kgcnnqe_tb829574AISinglePropertyPredictionqe_tb_indir_gapmatminer_rfMAE0.0278UofTqe_tb829574AISinglePropertyPredictionmegnet_gappbealignn_modelMAE0.218ALIGNNmegnet69239AISinglePropertyPredictiontinnet_N_eadalignn_modelMAE0.0871ALIGNNtinnet_N327AISinglePropertyClassdft_3d_mbj_bandgapmatminer_xgboostACC0.9399UofTdft_3d18167AISinglePropertyClassdft_3d_p_Seebeckmatminer_xgboostACC0.9332UofTdft_3d23210AISinglePropertyPredictionhmof_lcdmatminer_xgboostMAE0.4585UofThmof137651AISinglePropertyPredictionhalide_peroskites_HSE_gapalignn_modelMAE0.1615ALIGNNhalide_peroskites229AISinglePropertyPredictionhmof_surface_area_m2cm3matminer_xgboostMAE83.3575UofThmof137651AISinglePropertyPredictionqm9_std_jctc_LUMOalignn_modelMAE0.0175ALIGNNqm9_std_jctc130829AISinglePropertyPredictionqm9_std_jctc_Halignn_modelMAE0.014ALIGNNqm9_std_jctc130829AISinglePropertyPredictionqm9_std_jctc_mualignn_modelMAE0.0248ALIGNNqm9_std_jctc130829AISinglePropertyPredictionhalide_peroskites_PBE_decomp_energyalignn_modelMAE0.0477ALIGNNhalide_peroskites229AISinglePropertyPredictionhmof_surface_area_m2galignn_modelMAE91.1502ALIGNNhmof137651AISinglePropertyClassdft_3d_optb88vdw_bandgapmatminer_xgboostACC0.9361UofTdft_3d55713AISinglePropertyPredictionAGRA_CO_eadalignn_modelMAE0.1349ALIGNNAGRA_CO193AISinglePropertyPredictionqm9_std_jctc_ZPVEalignn_modelMAE0.0019ALIGNNqm9_std_jctc130829AISinglePropertyPredictionqm9_std_jctc_Ualignn_modelMAE0.0138ALIGNNqm9_std_jctc130829AISinglePropertyClassdft_3d_slmematminer_rfACC0.8422UofTdft_3d9062AISinglePropertyPredictionhmof_void_fractionalignn_modelMAE0.0174ALIGNNhmof137651AISinglePropertyPredictionqmof_bandgapalignn_modelMAE0.2019ALIGNNqmof20424AISinglePropertyPredictiontinnet_OH_eadalignn_modelMAE0.0882ALIGNNtinnet_OH746AISinglePropertyPredictionqm9_std_jctc_Galignn_modelMAE0.0133ALIGNNqm9_std_jctc130829AISinglePropertyPredictionhalide_peroskites_Ref_indalignn_modelMAE0.0233ALIGNNhalide_peroskites229AISinglePropertyPredictionhmof_pldmatminer_xgboostMAE0.5728UofThmof137651AISinglePropertyPredictionAGRA_OH_eadalignn_modelMAE0.0762ALIGNNAGRA_OH875AISinglePropertyPredictionsnumat_Band_gap_HSEalignn_modelMAE0.3765ALIGNNsnumat10386AISinglePropertyClassdft_3d_n_powerfactmatminer_xgboostACC0.8186UofTdft_3d23210AISinglePropertyPredictionhalide_peroskites_HSE_decomp_energyalignn_modelMAE0.0512ALIGNNhalide_peroskites229AISinglePropertyPredictionqm9_std_jctc_HOMOalignn_modelMAE0.0187ALIGNNqm9_std_jctc130829AISinglePropertyPredictionqm9_std_jctc_gapalignn_modelMAE0.0345ALIGNNqm9_std_jctc130829AISinglePropertyPredictionocp_all_relaxed_energyalignn_modelMAE0.5989ALIGNNocp_all510214AISinglePropertyPredictionqm9_std_jctc_R2alignn_modelMAE0.6523ALIGNNqm9_std_jctc130829AISinglePropertyPredictionAGRA_CHO_eadalignn_modelMAE0.1062ALIGNNAGRA_CHO214AISinglePropertyPredictionmegnet_e_formalignn_modelMAE0.0221ALIGNNmegnet69239AISinglePropertyPredictionhalide_peroskites_PBE_gapalignn_modelMAE0.1223ALIGNNhalide_peroskites229AISinglePropertyPredictionqm9_std_jctc_U0alignn_modelMAE0.0146ALIGNNqm9_std_jctc130829AISinglePropertyClassdft_3d_spillagematminer_xgboostACC0.8364UofTdft_3d11375AISinglePropertyPredictionhmof_max_co2_adspmatminer_xgboostMAE0.4622UofThmof137651AISinglePropertyPredictionqm9_std_jctc_alphaalignn_modelMAE0.0557ALIGNNqm9_std_jctc130829AISinglePropertyPredictionAGRA_COOH_eadalignn_modelMAE0.0485ALIGNNAGRA_COOH280AISinglePropertyClassdft_3d_magmom_oszicarmatminer_xgboostACC0.9489UofTdft_3d52210AISinglePropertyPredictionqm9_std_jctc_Cvalignn_modelMAE0.0239ALIGNNqm9_std_jctc130829AISinglePropertyPredictiontinnet_O_eadalignn_modelMAE0.3694ALIGNNtinnet_O745AISinglePropertyPredictionhmof_min_co2_adspalignn_modelMAE0.0383ALIGNNhmof137651AISinglePropertyPredictionAGRA_O_eadalignn_modelMAE0.1134ALIGNNAGRA_O1000AISpectraedos_pdos_ph_dosalignn_modelMULTIMAE0.0577ALIGNNedos_pdos14243AIMLFFmlearn_Si_stressesalignnff_fmult_mlearn_onlyMULTIMAE11.5542JARVISmlearn_Si239AIMLFFmlearn_Ni_stressesalignnff_fdMULTIMAE31.1771ALIGNNmlearn_Ni294AIMLFFmlearn_Li_stressesalignnff_fdMULTIMAE2.6491ALIGNNmlearn_Li270AIMLFFmlearn_Cu_stressesalignnff_fdMULTIMAE20.0515ALIGNNmlearn_Cu293AIMLFFmlearn_Mo_stressesalignnff_mlearn_onlyMULTIMAE19.4086JARVISmlearn_Mo217AIMLFFmlearn_Ge_stressesalignnff_fdMULTIMAE9.0436ALIGNNmlearn_Ge253AISinglePropertyPredictionvacancydb_oxides_train_test_efcrystal_feature_modelMAE0.7Crystal_Featuresvacancydb_oxides_train_test30AISinglePropertyPredictionmxene275_formation_energymxene_alignnMAE0.0561MXene_ALIGNNmxene275274AIImageClassstem_2d_image_bravais_classdensenet_modelACC0.8304JARVISstem_2d_image9150AISinglePropertyPredictionvacancydb_elements_efalignnff_wt0.1MAE1.1992JARVISvacancydb_elements74AISinglePropertyPredictionvacancydb_efalignnff_wt0.1MAE0.8739JARVISvacancydb530AISinglePropertyPredictionvacancydb_2D_efalignnff_wt0.1MAE1.0018JARVISvacancydb_2D72AISinglePropertyPredictionvacancydb_oxides_efalignnff_wt0.1MAE0.6091JARVISvacancydb_oxides65AITextSummaryarxiv_summary_texttransformers_t5_baseROUGE0.3904ChemNLParxiv_summary87148