Index

AI model contributions

  • Number of contributions: 1437
CategorySub-categoryBenchmarkMethodMetricScoreTeamDatasetSize
AIMLFFmlearnall_Si_forcesmlearn_analysis_Si_eqV2_153M_omatMULTIMAE0.01233474765762899JARVISmlearnall_Si239
AIMLFFmlearnall_Si_stressesmlearn_analysis_Si_orb-v2MULTIMAE0.8717744205819727JARVISmlearnall_Si239
AISinglePropertyPredictionqe_tb_final_energykgcnn_coGNMAE1.3185kgcnnqe_tb829574
AISinglePropertyPredictiondft_3d_dfpt_piezo_max_dielectricalignn2_knnMAE24.3052AtomGPTLabdft_3d4704
AISinglePropertyPredictiondft_3d_epszkgcnn_coNGNMAE17.8104kgcnndft_3d44490
AISinglePropertyPredictiondft_3d_formation_energy_peratomkgcnn_coGNMAE0.0271kgcnndft_3d55713
AISinglePropertyPredictiondft_3d_max_efgalignn_modelMAE19.1211ALIGNNdft_3d11865
AISinglePropertyPredictiondft_3d_mepsxkgcnn_coNGNMAE23.3801kgcnndft_3d16809
AISinglePropertyPredictiondft_3d_shear_modulus_gvkgcnn_coNGNMAE8.4881kgcnndft_3d19680
AISinglePropertyPredictiondft_3d_exfoliation_energyalignn_2026_nalignn_radiusMAE36.5818AtomGPTLabdft_3d812
AISinglePropertyPredictionqe_tb_indir_gapmatminer_rfMAE0.0278UofTqe_tb829574
AISinglePropertyPredictiondft_3d_n_Seebeckkgcnn_coGNMAE39.2692kgcnndft_3d23210
AISinglePropertyPredictiondft_3d_ph_heat_capacitymatminer_rfMAE5.2757UofTdft_3d12054
AISinglePropertyPredictiondft_3d_kpoint_length_unitmatminer_xgboostMAE9.047UofTdft_3d55392
AISinglePropertyPredictiondft_3d_epsxkgcnn_coNGNMAE18.5738kgcnndft_3d44490
AISinglePropertyPredictiondft_3d_avg_elec_massalignn2_knnMAE0.081AtomGPTLabdft_3d17642
AISinglePropertyPredictiondft_3d_optb88vdw_total_energykgcnn_coGNMAE0.0262kgcnndft_3d55713
AISinglePropertyPredictiondft_3d_dfpt_piezo_max_dijalignn2_knnMAE12.4983AtomGPTLabdft_3d3345
AISinglePropertyPredictiondft_3d_slmealignn_2026_nalignn_radiusMAE4.3774AtomGPTLabdft_3d9062
AISinglePropertyPredictiondft_3d_encutalignn2_knnMAE128.0826AtomGPTLabdft_3d55386
AISinglePropertyPredictiondft_3d_spillagealignn2_knn_wideMAE0.3408AtomGPTLabdft_3d11375
AISinglePropertyPredictionqe_tb_energy_per_atomkgcnn_coGNMAE0.0636kgcnnqe_tb829574
AISinglePropertyPredictiondft_3d_magmom_oszicarkgcnn_coNGNMAE0.2437kgcnndft_3d52210
AISinglePropertyPredictiondft_3d_optb88vdw_bandgapkgcnn_coGNMAE0.1219kgcnndft_3d55713
AISinglePropertyPredictionqe_tb_f_enpkgcnn_coGNMAE0.0956kgcnnqe_tb829574
AISinglePropertyPredictiondft_3d_mbj_bandgapalignn2_knn_wideMAE0.2576AtomGPTLabdft_3d18167
AISinglePropertyPredictiondft_3d_epsykgcnn_coNGNMAE18.5923kgcnndft_3d44490
AISinglePropertyPredictiondft_3d_ehullkgcnn_coGNMAE0.0466kgcnndft_3d55364
AISinglePropertyPredictiondft_3d_mepsykgcnn_coNGNMAE23.3299kgcnndft_3d16809
AISinglePropertyPredictiondft_3d_n_powerfactalignn_modelMAE442.2993ALIGNNdft_3d23210
AISinglePropertyPredictiondft_3d_avg_hole_massalignn_modelMAE0.1239ALIGNNdft_3d17642
AISinglePropertyPredictiondft_3d_mepszkgcnn_coNGNMAE22.842kgcnndft_3d16809
AISinglePropertyPredictiondft_3d_bulk_modulus_kvkgcnn_coNGNMAE8.7022kgcnndft_3d19680
AIMLFFmlearn_Ni_energysnap_mlearnMAE1.6742JARVISmlearn_Ni294
AIMLFFmlearn_Cu_stressesmatgl_pretrainedMULTIMAE29.08125948284852Matglmlearn_Cu293
AIMLFFmlearn_Ge_stressesmatgl_pretrainedMULTIMAE9.843460590954754Matglmlearn_Ge253
AIMLFFmlearn_Cu_energymatgl_mlearnMAE0.8696Matglmlearn_Cu293
AIMLFFmlearn_Ni_forcessnap_mlearnMULTIMAE0.06181732186425153JARVISmlearn_Ni294
AIMLFFmlearn_Cu_forcesmatgl_mlearnMULTIMAE0.017749048098047573Matglmlearn_Cu293
AIMLFFmlearn_Mo_forcesalignn2_radiusMULTIMAE0.1475070010949986AtomGPTLabmlearn_Mo217
AIMLFFmlearn_Li_energysnap_mlearnMAE0.1017JARVISmlearn_Li270
AIMLFFmlearn_Si_stressesalignnff_mlearn_Si_2026MULTIMAE11.807643970667261AtomGPTLabmlearn_Si239
AIMLFFmlearn_Si_forcesalignnff_mlearn_wt1MULTIMAE0.06942387617720659JARVISmlearn_Si239
AIMLFFmlearn_Ni_stressesmatgl_pretrainedMULTIMAE38.842144743058384Matglmlearn_Ni294
AIMLFFmlearn_Si_energymatgl_mlearnMAE0.8759Matglmlearn_Si239
AIMLFFmlearn_Li_forcessnap_mlearnMULTIMAE0.02733803004038507JARVISmlearn_Li270
AIMLFFmlearn_Mo_energysnap_mlearnMAE0.9078JARVISmlearn_Mo217
AIMLFFmlearn_Li_stressesmatgl_pretrainedMULTIMAE4.565046531310405Matglmlearn_Li270
AIMLFFmlearn_Mo_stressesalignnff_mlearn_all_wt1MULTIMAE44.869556923541296JARVISmlearn_Mo217
AIMLFFmlearn_Ge_energyalignnff_mlearn_Ge_2026MAE0.652AtomGPTLabmlearn_Ge253
AIMLFFmlearn_Ge_forcesalignnff_mlearn_Ge_2026MULTIMAE0.05991646173465817AtomGPTLabmlearn_Ge253
AISinglePropertyPredictiontinnet_OH_eadOut-AI-SinglePropertyPrediction-ead-tinnet_OH-test-mae.csv.zipMAE0.0843ALIGNNtinnet_OH746
AISinglePropertyPredictionAGRA_CHO_eadOut-AI-SinglePropertyPrediction-ead-AGRA_CHO-test-mae.csv.zipMAE0.0953ALIGNNAGRA_CHO214
AISinglePropertyPredictiontinnet_O_eadOut-AI-SinglePropertyPrediction-ead-tinnet_O-test-mae.csv.zipMAE0.2657ALIGNNtinnet_O745
AISinglePropertyPredictionAGRA_CO_eadOut-AI-SinglePropertyPrediction-ead-AGRA_CO-test-mae.csv.zipMAE0.1082ALIGNNAGRA_CO193
AISinglePropertyPredictionAGRA_O_eadOut-AI-SinglePropertyPrediction-ead-AGRA_O-test-mae.csv.zipMAE0.0319ALIGNNAGRA_O1000
AISinglePropertyPredictionAGRA_OH_eadOut-AI-SinglePropertyPrediction-ead-AGRA_OH-test-mae.csv.zipMAE0.0241ALIGNNAGRA_OH875
AISinglePropertyPredictiontinnet_N_eadalignn_modelMAE0.0871ALIGNNtinnet_N327
AISinglePropertyPredictionAGRA_COOH_eadOut-AI-SinglePropertyPrediction-ead-AGRA_COOH-test-mae.csv.zipMAE0.0383ALIGNNAGRA_COOH280
AISinglePropertyPredictiondft_3d_chipsff_form_enalignn_ff_jarvis_ff_fdMAE0.0273AtomGPTLabdft_3d_chipsff104
AISinglePropertyPredictiondft_3d_chipsff_kvalignn_ff_jarvis_ff_fdMAE50.6054AtomGPTLabdft_3d_chipsff104
AISinglePropertyPredictiondft_3d_chipsff_surf_eneqV2_31M_omat_mp_salexMAE0.1564JARVISdft_3d_chipsff85
AISinglePropertyPredictiondft_3d_chipsff_c11mattersimMAE31.8093JARVISdft_3d_chipsff104
AISinglePropertyPredictiondft_3d_chipsff_balignn_ffMAE0.0112JARVISdft_3d_chipsff104
AISinglePropertyPredictiondft_3d_chipsff_c44alignn2_radiusMAE32.337AtomGPTLabdft_3d_chipsff104
AISinglePropertyPredictiondft_3d_chipsff_volalignn_ffMAE0.4171JARVISdft_3d_chipsff104
AISinglePropertyPredictiondft_3d_chipsff_aalignn_ffMAE0.0111JARVISdft_3d_chipsff104
AISinglePropertyPredictiondft_3d_chipsff_vac_eneqV2_31M_omat_mp_salexMAE0.357JARVISdft_3d_chipsff48
AISinglePropertyPredictiondft_3d_chipsff_calignn_ffMAE0.0137JARVISdft_3d_chipsff104
AIAgentTaskterminal_bench_core_0_1_1_task_resolvedtb_20251108_abacusai_desktop_multipleACC0.6375Terminal-Bench leaderboard (third-party submission)terminal_bench_core_0_1_180
AIMLFFmlearnall_Li_stressesmlearn_analysis_Li_eqV2_31M_omat_mp_salexMULTIMAE0.1904206900846113JARVISmlearnall_Li270
AIMLFFmlearnall_Li_forcesmlearn_analysis_Li_eqV2_153M_omatMULTIMAE0.0042284903650996585JARVISmlearnall_Li270
AIMLFFmlearnall_Cu_forcesmlearn_analysis_Cu_eqV2_86M_omat_mp_salexMULTIMAE0.004833650102845855JARVISmlearnall_Cu293
AIMLFFmlearnall_Cu_stressesmlearn_analysis_Cu_eqV2_31M_omatMULTIMAE0.7554832245122134JARVISmlearnall_Cu293
AITextGenarxiv_gen_textChatGPT_May23ROUGE0.3006ChatGPTarxiv_gen490
AIMLFFmlearnall_Ge_stressesmlearn_analysis_Ge_orb-v2MULTIMAE0.6689165250433147JARVISmlearnall_Ge253
AIMLFFmlearnall_Ge_forcesmlearn_analysis_Ge_eqV2_31M_omat_mp_salexMULTIMAE0.028217515461183444JARVISmlearnall_Ge253
AIMLFFmlearnall_Mo_stressesmlearn_analysis_Mo_eqV2_31M_omat_mp_salexMULTIMAE1.4664864395630208JARVISmlearnall_Mo217
AIMLFFmlearnall_Mo_forcesmlearn_analysis_Mo_eqV2_86M_omat_mp_salexMULTIMAE0.047623466375061894JARVISmlearnall_Mo217
AISinglePropertyPredictionocp_all_relaxed_energyalignn_modelMAE0.5989ALIGNNocp_all510214
AIAtomGendft_3d_Tc_supercon_acdvae_invatomsMAE0.4899AtomGPTdft_3d1058
AIAtomGendft_3d_Tc_superconflowmm_invatomsRMSE0.3211AtomGPTdft_3d1058
AIAtomGenalex_supercon_Tc_acdvae_invatomsMAE0.3137AtomGPTalex_supercon8253
AIAtomGenalex_supercon_Tc_betacdvae_invatomsMAE6.8199AtomGPTalex_supercon8253
AIAtomGendft_3d_Tc_supercon_betacdvae_invatomsMAE5.1137AtomGPTdft_3d1058
AIAtomGenalex_supercon_Tc_gammacdvae_invatomsMAE6.4951AtomGPTalex_supercon8253
AIAtomGendft_3d_Tc_supercon_ccdvae_invatomsMAE0.6394AtomGPTdft_3d1058
AIAtomGenalex_supercon_Tc_ccdvae_invatomsMAE0.3671AtomGPTalex_supercon8253
AIAtomGendft_3d_Tc_supercon_gammacdvae_invatomsMAE11.4844AtomGPTdft_3d1058
AIAtomGenalex_supercon_Tcflowmm_invatomsRMSE0.383AtomGPTalex_supercon8253
AIAtomGendft_3d_Tc_supercon_alphacdvae_invatomsMAE7.8458AtomGPTdft_3d1058
AIAtomGenalex_supercon_Tc_bcdvae_invatomsMAE0.2798AtomGPTalex_supercon8253
AIAtomGendft_3d_Tc_supercon_bcdvae_invatomsMAE0.2919AtomGPTdft_3d1058
AIAtomGenalex_supercon_Tc_alphacdvae_invatomsMAE8.1802AtomGPTalex_supercon8253
AITextClassmmlu_test_quizgoogle_t5_xlACC0.4887ChemNLPmmlu_test14042
AITextClasspubchem_categorieslogisticreg_model_text_title_abstractACC0.9674ChemNLPpubchem44500
AITextClassarXiv_categoriessvc_model_text_title_abstractACC0.9082ChemNLParXiv100994
AIMLFFmlearnall_Ni_forcesmlearn_analysis_Ni_eqV2_86M_omat_mp_salexMULTIMAE0.008671631296286566JARVISmlearnall_Ni294
AIMLFFmlearnall_Ni_stressesmlearn_analysis_Ni_eqV2_31M_omatMULTIMAE1.101615214943961JARVISmlearnall_Ni294
AIImageClassstem_2d_image_bravais_classdensenet_modelACC0.8304JARVISstem_2d_image9150
AISinglePropertyClassbacdive_thermophilicg2p_multitaskACC0.9928JHUbacdive13210
AISinglePropertyClassbacdive_clade_acidophilicg2p_gbmACC0.9787JHUbacdive_clade2550
AISinglePropertyClassbacdive_psychrophilicg2p_gbmACC0.9725JHUbacdive13058
AISinglePropertyClassbacdive_clade_motilityg2p_rfACC0.9909JHUbacdive_clade2276
AISinglePropertyClassbacdive_clade_anaerobicg2p_gbmACC0.9804JHUbacdive_clade8068
AISinglePropertyClassbacdive_clade_gram_positiveg2p_rfACC0.9726JHUbacdive_clade4715
AISinglePropertyClassbacdive_anaerobicg2p_gbmACC0.9778JHUbacdive8068
AISinglePropertyClassbacdive_clade_aerobicg2p_gbmACC0.9385JHUbacdive_clade7781
AISinglePropertyClassbacdive_aerobicg2p_gbmACC0.9113JHUbacdive7781
AISinglePropertyClassbacdive_clade_spore_formingg2p_gbmACC0.9284JHUbacdive_clade3039
AISinglePropertyClassbacdive_spore_formingg2p_rfACC0.9552JHUbacdive3039
AISinglePropertyClassbacdive_motilityg2p_gbmACC0.9931JHUbacdive2276
AISinglePropertyClassbacdive_acidophilicg2p_gbmACC0.98JHUbacdive2550
AISinglePropertyClassbacdive_clade_thermophilicg2p_multitaskACC0.989JHUbacdive_clade13210
AISinglePropertyClassbacdive_clade_psychrophilicg2p_gbmACC0.9756JHUbacdive_clade13058
AISinglePropertyClassbacdive_gram_positiveg2p_rfACC0.9597JHUbacdive4715
AISinglePropertyPredictionssub_formula_energyElemNet2_TLMAE0.0924NorthWestern_Universityssub1726
AISinglePropertyPredictionsupercon_chem_Tczim_boostMAE4.2619yshrainsupercon_chem16414
AISinglePropertyPredictionmag2d_chem_magnetic_momentElemNet2_TLMAE0.2997NorthWestern_Universitymag2d_chem226
AIMLFFalignn_ff_db_energyalignnff_db_2026MAE0.0277AtomGPTLabalignn_ff_db307111
AISinglePropertyPredictiondft_3d_Tc_supercon_hydride_plus_bulkalignn_hydride_supercon_plusbulkMAE7.9619ALIGNNdft_3d1993
AISinglePropertyPredictionmegnet_gappbealignn_modelMAE0.218ALIGNNmegnet69239
AISinglePropertyPredictiondft_3d_Tc_superconalignn_2026_knnMAE1.4904AtomGPTLabdft_3d616
AISinglePropertyPredictionmegnet_e_formalignn_2026_radiusMAE0.0211AtomGPTLabmegnet69239
AISinglePropertyPredictiondft_3d_Tc_supercon_hydridealignn2_knnMAE9.4249AtomGPTLabdft_3d953
AIMLFFalignn_ff_db_forcesm3gnet_pretrainedMULTIMAE0.08448789649784973M3GNETalignn_ff_db307111
AISinglePropertyPredictionhalide_peroskites_PBE_decomp_energyalignn2_knnMAE0.0273AtomGPTLabhalide_peroskites229
AISpectrambjdiel_dielectricalignn2_knnMULTIMAE0.0005194313861386138AtomGPTLabmbjdiel7056
AISinglePropertyPredictionhalide_peroskites_HSE_decomp_energyalignn2_knnMAE0.0233AtomGPTLabhalide_peroskites229
AISinglePropertyPredictionhalide_peroskites_Ref_indalignn2_knnMAE0.0127AtomGPTLabhalide_peroskites229
AISpectrairdb_iralignn2_knnMULTIMAE0.02303621202702703AtomGPTLabirdb4805
AISinglePropertyPredictionhmof_co2alignn2_knnMAE0.4687AtomGPTLabhmof137652
AISinglePropertyPredictionc2db_gapalignn2_knnMAE0.0802AtomGPTLabc2db3520
AISinglePropertyPredictionpdbbind_binding_affinitybaseline_meanMAE1.5136AtomGPTLabpdbbind11889
AISinglePropertyPredictionomdb_bandgapalignn2_knnMAE0.2411AtomGPTLabomdb12500
AISinglePropertyPredictionpolymer_genome_gga_gapalignn2_knnMAE0.4806AtomGPTLabpolymer_genome1073
AISinglePropertyPredictionsnumat_Band_gap_HSEalignn2_knnMAE0.3483AtomGPTLabsnumat10386
AISinglePropertyPredictiontwod_matpd_bandgapalignn2_knnMAE0.366AtomGPTLabtwod_matpd6351
AISinglePropertyPredictionhalide_peroskites_PBE_gapalignn2_knnMAE0.0867AtomGPTLabhalide_peroskites229
AISinglePropertyPredictionhalide_peroskites_HSE_gapalignn2_knnMAE0.1383AtomGPTLabhalide_peroskites229
AISinglePropertyPredictionmxene275_formation_energyalignn2_knnMAE0.0343AtomGPTLabmxene275274
AISinglePropertyPredictionoqmd_ltcalignn_2026_ltc_dglMAE0.3705AtomGPTLaboqmd4034
AISinglePropertyPredictionocp10k_relaxed_energyalignn_modelMAE0.7623ALIGNNocp10k59886
AIMLFFmatpes_forcesalignnff_matpesMULTIMAE0.16203718255865385AtomGPTLabmatpes434712
AIMLFFmatpes_energyalignnff_matpesMAE0.047AtomGPTLabmatpes434712
AITokenClassmat_scholar_ner_labelstransformers_xlnetACC0.7481ChemNLPmat_scholar_ner123267
AISinglePropertyPredictionhmof_pldmatminer_xgboostMAE0.5728UofThmof137651
AISinglePropertyPredictionhmof_void_fractionalignn_modelMAE0.0174ALIGNNhmof137651
AISinglePropertyClassdft_3d_magmom_oszicarmatminer_xgboostACC0.9489UofTdft_3d52210
AISinglePropertyClassdft_3d_spillagematminer_xgboostACC0.8364UofTdft_3d11375
AISinglePropertyPredictionhmof_max_co2_adspmatminer_xgboostMAE0.4622UofThmof137651
AISinglePropertyPredictionhmof_surface_area_m2galignn_modelMAE91.1502ALIGNNhmof137651
AISinglePropertyPredictionhmof_surface_area_m2cm3matminer_xgboostMAE83.3575UofThmof137651
AISinglePropertyPredictionhmof_lcdmatminer_xgboostMAE0.4585UofThmof137651
AISinglePropertyPredictionhmof_min_co2_adspalignn_modelMAE0.0383ALIGNNhmof137651
AISinglePropertyPredictionqmof_bandgapalignn_modelMAE0.2019ALIGNNqmof20424
AISinglePropertyClassdft_3d_mbj_bandgapmatminer_xgboostACC0.9399UofTdft_3d18167
AISinglePropertyClassdft_3d_optb88vdw_bandgapmatminer_xgboostACC0.9361UofTdft_3d55713
AISinglePropertyClassdft_3d_slmematminer_rfACC0.8422UofTdft_3d9062
AISinglePropertyClassdft_3d_p_Seebeckmatminer_xgboostACC0.9332UofTdft_3d23210
AISinglePropertyClassdft_3d_n_powerfactmatminer_xgboostACC0.8186UofTdft_3d23210
AISinglePropertyPredictionvacancydb_2D_efalignnff_pretrained_wt0.1MAE1.0018JARVISvacancydb_2D72
AISinglePropertyPredictionvacancydb_elements_efalignnff_pretrained_wt0.1MAE1.1992JARVISvacancydb_elements74
AISinglePropertyPredictionvacancydb_oxides_efalignnff_pretrained_wt0.1MAE0.6091JARVISvacancydb_oxides65
AISinglePropertyPredictionvacancydb_efalignnff_pretrained_wt0.1MAE0.8739JARVISvacancydb530
AITextSummaryarxiv_summary_texttransformers_t5_baseROUGE0.2602ChemNLParxiv_summary87148
AISinglePropertyPredictionqm9_std_jctc_Halignn_modelMAE0.014ALIGNNqm9_std_jctc130829
AISpectraedos_pdos_ph_dosalignn_modelMULTIMAE0.05772635693310998ALIGNNedos_pdos14243
AISinglePropertyPredictionocp100k_relaxed_energyalignn_modelMAE0.6289ALIGNNocp100k149886
AISinglePropertyPredictionqm9_std_jctc_Ualignn_modelMAE0.0138ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_mualignn_modelMAE0.0248ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_R2alignn_modelMAE0.6523ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_Galignn_modelMAE0.0133ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_Cvalignn_modelMAE0.0239ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_LUMOalignn_modelMAE0.0175ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_U0alignn_modelMAE0.0146ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_alphaalignn_modelMAE0.0557ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_gapalignn_modelMAE0.0345ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_HOMOalignn_modelMAE0.0187ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionqm9_std_jctc_ZPVEalignn_modelMAE0.0019ALIGNNqm9_std_jctc130829
AISinglePropertyPredictionvacancydb_oxides_train_test_efcrystal_feature_modelMAE0.7Crystal_Featuresvacancydb_oxides_train_test30
AITextClassmmlu_test_quizgpt_oss_120bACC0.0AtomGPTLabmmlu14042
AIMLFFmptrj_energyalignn2_radiusMAE0.051AtomGPTLabmptrj76485
AIMLFFmptrj_forcesalignn2_radiusMULTIMAE0.11178462060217215AtomGPTLabmptrj76485
AIMLFFmatpes_stressesalignn2_radiusMULTIMAE17.485322176393822AtomGPTLabmatpes434712