Index
AI model contributions
- Number of contributions: 1437
| Category | Sub-category | Benchmark | Method | Metric | Score | Team | Dataset | Size |
|---|---|---|---|---|---|---|---|---|
| AI | MLFF | mlearnall_Si_forces | mlearn_analysis_Si_eqV2_153M_omat | MULTIMAE | 0.01233474765762899 | JARVIS | mlearnall_Si | 239 |
| AI | MLFF | mlearnall_Si_stresses | mlearn_analysis_Si_orb-v2 | MULTIMAE | 0.8717744205819727 | JARVIS | mlearnall_Si | 239 |
| AI | SinglePropertyPrediction | qe_tb_final_energy | kgcnn_coGN | MAE | 1.3185 | kgcnn | qe_tb | 829574 |
| AI | SinglePropertyPrediction | dft_3d_dfpt_piezo_max_dielectric | alignn2_knn | MAE | 24.3052 | AtomGPTLab | dft_3d | 4704 |
| AI | SinglePropertyPrediction | dft_3d_epsz | kgcnn_coNGN | MAE | 17.8104 | kgcnn | dft_3d | 44490 |
| AI | SinglePropertyPrediction | dft_3d_formation_energy_peratom | kgcnn_coGN | MAE | 0.0271 | kgcnn | dft_3d | 55713 |
| AI | SinglePropertyPrediction | dft_3d_max_efg | alignn_model | MAE | 19.1211 | ALIGNN | dft_3d | 11865 |
| AI | SinglePropertyPrediction | dft_3d_mepsx | kgcnn_coNGN | MAE | 23.3801 | kgcnn | dft_3d | 16809 |
| AI | SinglePropertyPrediction | dft_3d_shear_modulus_gv | kgcnn_coNGN | MAE | 8.4881 | kgcnn | dft_3d | 19680 |
| AI | SinglePropertyPrediction | dft_3d_exfoliation_energy | alignn_2026_nalignn_radius | MAE | 36.5818 | AtomGPTLab | dft_3d | 812 |
| AI | SinglePropertyPrediction | qe_tb_indir_gap | matminer_rf | MAE | 0.0278 | UofT | qe_tb | 829574 |
| AI | SinglePropertyPrediction | dft_3d_n_Seebeck | kgcnn_coGN | MAE | 39.2692 | kgcnn | dft_3d | 23210 |
| AI | SinglePropertyPrediction | dft_3d_ph_heat_capacity | matminer_rf | MAE | 5.2757 | UofT | dft_3d | 12054 |
| AI | SinglePropertyPrediction | dft_3d_kpoint_length_unit | matminer_xgboost | MAE | 9.047 | UofT | dft_3d | 55392 |
| AI | SinglePropertyPrediction | dft_3d_epsx | kgcnn_coNGN | MAE | 18.5738 | kgcnn | dft_3d | 44490 |
| AI | SinglePropertyPrediction | dft_3d_avg_elec_mass | alignn2_knn | MAE | 0.081 | AtomGPTLab | dft_3d | 17642 |
| AI | SinglePropertyPrediction | dft_3d_optb88vdw_total_energy | kgcnn_coGN | MAE | 0.0262 | kgcnn | dft_3d | 55713 |
| AI | SinglePropertyPrediction | dft_3d_dfpt_piezo_max_dij | alignn2_knn | MAE | 12.4983 | AtomGPTLab | dft_3d | 3345 |
| AI | SinglePropertyPrediction | dft_3d_slme | alignn_2026_nalignn_radius | MAE | 4.3774 | AtomGPTLab | dft_3d | 9062 |
| AI | SinglePropertyPrediction | dft_3d_encut | alignn2_knn | MAE | 128.0826 | AtomGPTLab | dft_3d | 55386 |
| AI | SinglePropertyPrediction | dft_3d_spillage | alignn2_knn_wide | MAE | 0.3408 | AtomGPTLab | dft_3d | 11375 |
| AI | SinglePropertyPrediction | qe_tb_energy_per_atom | kgcnn_coGN | MAE | 0.0636 | kgcnn | qe_tb | 829574 |
| AI | SinglePropertyPrediction | dft_3d_magmom_oszicar | kgcnn_coNGN | MAE | 0.2437 | kgcnn | dft_3d | 52210 |
| AI | SinglePropertyPrediction | dft_3d_optb88vdw_bandgap | kgcnn_coGN | MAE | 0.1219 | kgcnn | dft_3d | 55713 |
| AI | SinglePropertyPrediction | qe_tb_f_enp | kgcnn_coGN | MAE | 0.0956 | kgcnn | qe_tb | 829574 |
| AI | SinglePropertyPrediction | dft_3d_mbj_bandgap | alignn2_knn_wide | MAE | 0.2576 | AtomGPTLab | dft_3d | 18167 |
| AI | SinglePropertyPrediction | dft_3d_epsy | kgcnn_coNGN | MAE | 18.5923 | kgcnn | dft_3d | 44490 |
| AI | SinglePropertyPrediction | dft_3d_ehull | kgcnn_coGN | MAE | 0.0466 | kgcnn | dft_3d | 55364 |
| AI | SinglePropertyPrediction | dft_3d_mepsy | kgcnn_coNGN | MAE | 23.3299 | kgcnn | dft_3d | 16809 |
| AI | SinglePropertyPrediction | dft_3d_n_powerfact | alignn_model | MAE | 442.2993 | ALIGNN | dft_3d | 23210 |
| AI | SinglePropertyPrediction | dft_3d_avg_hole_mass | alignn_model | MAE | 0.1239 | ALIGNN | dft_3d | 17642 |
| AI | SinglePropertyPrediction | dft_3d_mepsz | kgcnn_coNGN | MAE | 22.842 | kgcnn | dft_3d | 16809 |
| AI | SinglePropertyPrediction | dft_3d_bulk_modulus_kv | kgcnn_coNGN | MAE | 8.7022 | kgcnn | dft_3d | 19680 |
| AI | MLFF | mlearn_Ni_energy | snap_mlearn | MAE | 1.6742 | JARVIS | mlearn_Ni | 294 |
| AI | MLFF | mlearn_Cu_stresses | matgl_pretrained | MULTIMAE | 29.08125948284852 | Matgl | mlearn_Cu | 293 |
| AI | MLFF | mlearn_Ge_stresses | matgl_pretrained | MULTIMAE | 9.843460590954754 | Matgl | mlearn_Ge | 253 |
| AI | MLFF | mlearn_Cu_energy | matgl_mlearn | MAE | 0.8696 | Matgl | mlearn_Cu | 293 |
| AI | MLFF | mlearn_Ni_forces | snap_mlearn | MULTIMAE | 0.06181732186425153 | JARVIS | mlearn_Ni | 294 |
| AI | MLFF | mlearn_Cu_forces | matgl_mlearn | MULTIMAE | 0.017749048098047573 | Matgl | mlearn_Cu | 293 |
| AI | MLFF | mlearn_Mo_forces | alignn2_radius | MULTIMAE | 0.1475070010949986 | AtomGPTLab | mlearn_Mo | 217 |
| AI | MLFF | mlearn_Li_energy | snap_mlearn | MAE | 0.1017 | JARVIS | mlearn_Li | 270 |
| AI | MLFF | mlearn_Si_stresses | alignnff_mlearn_Si_2026 | MULTIMAE | 11.807643970667261 | AtomGPTLab | mlearn_Si | 239 |
| AI | MLFF | mlearn_Si_forces | alignnff_mlearn_wt1 | MULTIMAE | 0.06942387617720659 | JARVIS | mlearn_Si | 239 |
| AI | MLFF | mlearn_Ni_stresses | matgl_pretrained | MULTIMAE | 38.842144743058384 | Matgl | mlearn_Ni | 294 |
| AI | MLFF | mlearn_Si_energy | matgl_mlearn | MAE | 0.8759 | Matgl | mlearn_Si | 239 |
| AI | MLFF | mlearn_Li_forces | snap_mlearn | MULTIMAE | 0.02733803004038507 | JARVIS | mlearn_Li | 270 |
| AI | MLFF | mlearn_Mo_energy | snap_mlearn | MAE | 0.9078 | JARVIS | mlearn_Mo | 217 |
| AI | MLFF | mlearn_Li_stresses | matgl_pretrained | MULTIMAE | 4.565046531310405 | Matgl | mlearn_Li | 270 |
| AI | MLFF | mlearn_Mo_stresses | alignnff_mlearn_all_wt1 | MULTIMAE | 44.869556923541296 | JARVIS | mlearn_Mo | 217 |
| AI | MLFF | mlearn_Ge_energy | alignnff_mlearn_Ge_2026 | MAE | 0.652 | AtomGPTLab | mlearn_Ge | 253 |
| AI | MLFF | mlearn_Ge_forces | alignnff_mlearn_Ge_2026 | MULTIMAE | 0.05991646173465817 | AtomGPTLab | mlearn_Ge | 253 |
| AI | SinglePropertyPrediction | tinnet_OH_ead | Out-AI-SinglePropertyPrediction-ead-tinnet_OH-test-mae.csv.zip | MAE | 0.0843 | ALIGNN | tinnet_OH | 746 |
| AI | SinglePropertyPrediction | AGRA_CHO_ead | Out-AI-SinglePropertyPrediction-ead-AGRA_CHO-test-mae.csv.zip | MAE | 0.0953 | ALIGNN | AGRA_CHO | 214 |
| AI | SinglePropertyPrediction | tinnet_O_ead | Out-AI-SinglePropertyPrediction-ead-tinnet_O-test-mae.csv.zip | MAE | 0.2657 | ALIGNN | tinnet_O | 745 |
| AI | SinglePropertyPrediction | AGRA_CO_ead | Out-AI-SinglePropertyPrediction-ead-AGRA_CO-test-mae.csv.zip | MAE | 0.1082 | ALIGNN | AGRA_CO | 193 |
| AI | SinglePropertyPrediction | AGRA_O_ead | Out-AI-SinglePropertyPrediction-ead-AGRA_O-test-mae.csv.zip | MAE | 0.0319 | ALIGNN | AGRA_O | 1000 |
| AI | SinglePropertyPrediction | AGRA_OH_ead | Out-AI-SinglePropertyPrediction-ead-AGRA_OH-test-mae.csv.zip | MAE | 0.0241 | ALIGNN | AGRA_OH | 875 |
| AI | SinglePropertyPrediction | tinnet_N_ead | alignn_model | MAE | 0.0871 | ALIGNN | tinnet_N | 327 |
| AI | SinglePropertyPrediction | AGRA_COOH_ead | Out-AI-SinglePropertyPrediction-ead-AGRA_COOH-test-mae.csv.zip | MAE | 0.0383 | ALIGNN | AGRA_COOH | 280 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_form_en | alignn_ff_jarvis_ff_fd | MAE | 0.0273 | AtomGPTLab | dft_3d_chipsff | 104 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_kv | alignn_ff_jarvis_ff_fd | MAE | 50.6054 | AtomGPTLab | dft_3d_chipsff | 104 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_surf_en | eqV2_31M_omat_mp_salex | MAE | 0.1564 | JARVIS | dft_3d_chipsff | 85 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_c11 | mattersim | MAE | 31.8093 | JARVIS | dft_3d_chipsff | 104 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_b | alignn_ff | MAE | 0.0112 | JARVIS | dft_3d_chipsff | 104 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_c44 | alignn2_radius | MAE | 32.337 | AtomGPTLab | dft_3d_chipsff | 104 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_vol | alignn_ff | MAE | 0.4171 | JARVIS | dft_3d_chipsff | 104 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_a | alignn_ff | MAE | 0.0111 | JARVIS | dft_3d_chipsff | 104 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_vac_en | eqV2_31M_omat_mp_salex | MAE | 0.357 | JARVIS | dft_3d_chipsff | 48 |
| AI | SinglePropertyPrediction | dft_3d_chipsff_c | alignn_ff | MAE | 0.0137 | JARVIS | dft_3d_chipsff | 104 |
| AI | AgentTask | terminal_bench_core_0_1_1_task_resolved | tb_20251108_abacusai_desktop_multiple | ACC | 0.6375 | Terminal-Bench leaderboard (third-party submission) | terminal_bench_core_0_1_1 | 80 |
| AI | MLFF | mlearnall_Li_stresses | mlearn_analysis_Li_eqV2_31M_omat_mp_salex | MULTIMAE | 0.1904206900846113 | JARVIS | mlearnall_Li | 270 |
| AI | MLFF | mlearnall_Li_forces | mlearn_analysis_Li_eqV2_153M_omat | MULTIMAE | 0.0042284903650996585 | JARVIS | mlearnall_Li | 270 |
| AI | MLFF | mlearnall_Cu_forces | mlearn_analysis_Cu_eqV2_86M_omat_mp_salex | MULTIMAE | 0.004833650102845855 | JARVIS | mlearnall_Cu | 293 |
| AI | MLFF | mlearnall_Cu_stresses | mlearn_analysis_Cu_eqV2_31M_omat | MULTIMAE | 0.7554832245122134 | JARVIS | mlearnall_Cu | 293 |
| AI | TextGen | arxiv_gen_text | ChatGPT_May23 | ROUGE | 0.3006 | ChatGPT | arxiv_gen | 490 |
| AI | MLFF | mlearnall_Ge_stresses | mlearn_analysis_Ge_orb-v2 | MULTIMAE | 0.6689165250433147 | JARVIS | mlearnall_Ge | 253 |
| AI | MLFF | mlearnall_Ge_forces | mlearn_analysis_Ge_eqV2_31M_omat_mp_salex | MULTIMAE | 0.028217515461183444 | JARVIS | mlearnall_Ge | 253 |
| AI | MLFF | mlearnall_Mo_stresses | mlearn_analysis_Mo_eqV2_31M_omat_mp_salex | MULTIMAE | 1.4664864395630208 | JARVIS | mlearnall_Mo | 217 |
| AI | MLFF | mlearnall_Mo_forces | mlearn_analysis_Mo_eqV2_86M_omat_mp_salex | MULTIMAE | 0.047623466375061894 | JARVIS | mlearnall_Mo | 217 |
| AI | SinglePropertyPrediction | ocp_all_relaxed_energy | alignn_model | MAE | 0.5989 | ALIGNN | ocp_all | 510214 |
| AI | AtomGen | dft_3d_Tc_supercon_a | cdvae_invatoms | MAE | 0.4899 | AtomGPT | dft_3d | 1058 |
| AI | AtomGen | dft_3d_Tc_supercon | flowmm_invatoms | RMSE | 0.3211 | AtomGPT | dft_3d | 1058 |
| AI | AtomGen | alex_supercon_Tc_a | cdvae_invatoms | MAE | 0.3137 | AtomGPT | alex_supercon | 8253 |
| AI | AtomGen | alex_supercon_Tc_beta | cdvae_invatoms | MAE | 6.8199 | AtomGPT | alex_supercon | 8253 |
| AI | AtomGen | dft_3d_Tc_supercon_beta | cdvae_invatoms | MAE | 5.1137 | AtomGPT | dft_3d | 1058 |
| AI | AtomGen | alex_supercon_Tc_gamma | cdvae_invatoms | MAE | 6.4951 | AtomGPT | alex_supercon | 8253 |
| AI | AtomGen | dft_3d_Tc_supercon_c | cdvae_invatoms | MAE | 0.6394 | AtomGPT | dft_3d | 1058 |
| AI | AtomGen | alex_supercon_Tc_c | cdvae_invatoms | MAE | 0.3671 | AtomGPT | alex_supercon | 8253 |
| AI | AtomGen | dft_3d_Tc_supercon_gamma | cdvae_invatoms | MAE | 11.4844 | AtomGPT | dft_3d | 1058 |
| AI | AtomGen | alex_supercon_Tc | flowmm_invatoms | RMSE | 0.383 | AtomGPT | alex_supercon | 8253 |
| AI | AtomGen | dft_3d_Tc_supercon_alpha | cdvae_invatoms | MAE | 7.8458 | AtomGPT | dft_3d | 1058 |
| AI | AtomGen | alex_supercon_Tc_b | cdvae_invatoms | MAE | 0.2798 | AtomGPT | alex_supercon | 8253 |
| AI | AtomGen | dft_3d_Tc_supercon_b | cdvae_invatoms | MAE | 0.2919 | AtomGPT | dft_3d | 1058 |
| AI | AtomGen | alex_supercon_Tc_alpha | cdvae_invatoms | MAE | 8.1802 | AtomGPT | alex_supercon | 8253 |
| AI | TextClass | mmlu_test_quiz | google_t5_xl | ACC | 0.4887 | ChemNLP | mmlu_test | 14042 |
| AI | TextClass | pubchem_categories | logisticreg_model_text_title_abstract | ACC | 0.9674 | ChemNLP | pubchem | 44500 |
| AI | TextClass | arXiv_categories | svc_model_text_title_abstract | ACC | 0.9082 | ChemNLP | arXiv | 100994 |
| AI | MLFF | mlearnall_Ni_forces | mlearn_analysis_Ni_eqV2_86M_omat_mp_salex | MULTIMAE | 0.008671631296286566 | JARVIS | mlearnall_Ni | 294 |
| AI | MLFF | mlearnall_Ni_stresses | mlearn_analysis_Ni_eqV2_31M_omat | MULTIMAE | 1.101615214943961 | JARVIS | mlearnall_Ni | 294 |
| AI | ImageClass | stem_2d_image_bravais_class | densenet_model | ACC | 0.8304 | JARVIS | stem_2d_image | 9150 |
| AI | SinglePropertyClass | bacdive_thermophilic | g2p_multitask | ACC | 0.9928 | JHU | bacdive | 13210 |
| AI | SinglePropertyClass | bacdive_clade_acidophilic | g2p_gbm | ACC | 0.9787 | JHU | bacdive_clade | 2550 |
| AI | SinglePropertyClass | bacdive_psychrophilic | g2p_gbm | ACC | 0.9725 | JHU | bacdive | 13058 |
| AI | SinglePropertyClass | bacdive_clade_motility | g2p_rf | ACC | 0.9909 | JHU | bacdive_clade | 2276 |
| AI | SinglePropertyClass | bacdive_clade_anaerobic | g2p_gbm | ACC | 0.9804 | JHU | bacdive_clade | 8068 |
| AI | SinglePropertyClass | bacdive_clade_gram_positive | g2p_rf | ACC | 0.9726 | JHU | bacdive_clade | 4715 |
| AI | SinglePropertyClass | bacdive_anaerobic | g2p_gbm | ACC | 0.9778 | JHU | bacdive | 8068 |
| AI | SinglePropertyClass | bacdive_clade_aerobic | g2p_gbm | ACC | 0.9385 | JHU | bacdive_clade | 7781 |
| AI | SinglePropertyClass | bacdive_aerobic | g2p_gbm | ACC | 0.9113 | JHU | bacdive | 7781 |
| AI | SinglePropertyClass | bacdive_clade_spore_forming | g2p_gbm | ACC | 0.9284 | JHU | bacdive_clade | 3039 |
| AI | SinglePropertyClass | bacdive_spore_forming | g2p_rf | ACC | 0.9552 | JHU | bacdive | 3039 |
| AI | SinglePropertyClass | bacdive_motility | g2p_gbm | ACC | 0.9931 | JHU | bacdive | 2276 |
| AI | SinglePropertyClass | bacdive_acidophilic | g2p_gbm | ACC | 0.98 | JHU | bacdive | 2550 |
| AI | SinglePropertyClass | bacdive_clade_thermophilic | g2p_multitask | ACC | 0.989 | JHU | bacdive_clade | 13210 |
| AI | SinglePropertyClass | bacdive_clade_psychrophilic | g2p_gbm | ACC | 0.9756 | JHU | bacdive_clade | 13058 |
| AI | SinglePropertyClass | bacdive_gram_positive | g2p_rf | ACC | 0.9597 | JHU | bacdive | 4715 |
| AI | SinglePropertyPrediction | ssub_formula_energy | ElemNet2_TL | MAE | 0.0924 | NorthWestern_University | ssub | 1726 |
| AI | SinglePropertyPrediction | supercon_chem_Tc | zim_boost | MAE | 4.2619 | yshrain | supercon_chem | 16414 |
| AI | SinglePropertyPrediction | mag2d_chem_magnetic_moment | ElemNet2_TL | MAE | 0.2997 | NorthWestern_University | mag2d_chem | 226 |
| AI | MLFF | alignn_ff_db_energy | alignnff_db_2026 | MAE | 0.0277 | AtomGPTLab | alignn_ff_db | 307111 |
| AI | SinglePropertyPrediction | dft_3d_Tc_supercon_hydride_plus_bulk | alignn_hydride_supercon_plusbulk | MAE | 7.9619 | ALIGNN | dft_3d | 1993 |
| AI | SinglePropertyPrediction | megnet_gappbe | alignn_model | MAE | 0.218 | ALIGNN | megnet | 69239 |
| AI | SinglePropertyPrediction | dft_3d_Tc_supercon | alignn_2026_knn | MAE | 1.4904 | AtomGPTLab | dft_3d | 616 |
| AI | SinglePropertyPrediction | megnet_e_form | alignn_2026_radius | MAE | 0.0211 | AtomGPTLab | megnet | 69239 |
| AI | SinglePropertyPrediction | dft_3d_Tc_supercon_hydride | alignn2_knn | MAE | 9.4249 | AtomGPTLab | dft_3d | 953 |
| AI | MLFF | alignn_ff_db_forces | m3gnet_pretrained | MULTIMAE | 0.08448789649784973 | M3GNET | alignn_ff_db | 307111 |
| AI | SinglePropertyPrediction | halide_peroskites_PBE_decomp_energy | alignn2_knn | MAE | 0.0273 | AtomGPTLab | halide_peroskites | 229 |
| AI | Spectra | mbjdiel_dielectric | alignn2_knn | MULTIMAE | 0.0005194313861386138 | AtomGPTLab | mbjdiel | 7056 |
| AI | SinglePropertyPrediction | halide_peroskites_HSE_decomp_energy | alignn2_knn | MAE | 0.0233 | AtomGPTLab | halide_peroskites | 229 |
| AI | SinglePropertyPrediction | halide_peroskites_Ref_ind | alignn2_knn | MAE | 0.0127 | AtomGPTLab | halide_peroskites | 229 |
| AI | Spectra | irdb_ir | alignn2_knn | MULTIMAE | 0.02303621202702703 | AtomGPTLab | irdb | 4805 |
| AI | SinglePropertyPrediction | hmof_co2 | alignn2_knn | MAE | 0.4687 | AtomGPTLab | hmof | 137652 |
| AI | SinglePropertyPrediction | c2db_gap | alignn2_knn | MAE | 0.0802 | AtomGPTLab | c2db | 3520 |
| AI | SinglePropertyPrediction | pdbbind_binding_affinity | baseline_mean | MAE | 1.5136 | AtomGPTLab | pdbbind | 11889 |
| AI | SinglePropertyPrediction | omdb_bandgap | alignn2_knn | MAE | 0.2411 | AtomGPTLab | omdb | 12500 |
| AI | SinglePropertyPrediction | polymer_genome_gga_gap | alignn2_knn | MAE | 0.4806 | AtomGPTLab | polymer_genome | 1073 |
| AI | SinglePropertyPrediction | snumat_Band_gap_HSE | alignn2_knn | MAE | 0.3483 | AtomGPTLab | snumat | 10386 |
| AI | SinglePropertyPrediction | twod_matpd_bandgap | alignn2_knn | MAE | 0.366 | AtomGPTLab | twod_matpd | 6351 |
| AI | SinglePropertyPrediction | halide_peroskites_PBE_gap | alignn2_knn | MAE | 0.0867 | AtomGPTLab | halide_peroskites | 229 |
| AI | SinglePropertyPrediction | halide_peroskites_HSE_gap | alignn2_knn | MAE | 0.1383 | AtomGPTLab | halide_peroskites | 229 |
| AI | SinglePropertyPrediction | mxene275_formation_energy | alignn2_knn | MAE | 0.0343 | AtomGPTLab | mxene275 | 274 |
| AI | SinglePropertyPrediction | oqmd_ltc | alignn_2026_ltc_dgl | MAE | 0.3705 | AtomGPTLab | oqmd | 4034 |
| AI | SinglePropertyPrediction | ocp10k_relaxed_energy | alignn_model | MAE | 0.7623 | ALIGNN | ocp10k | 59886 |
| AI | MLFF | matpes_forces | alignnff_matpes | MULTIMAE | 0.16203718255865385 | AtomGPTLab | matpes | 434712 |
| AI | MLFF | matpes_energy | alignnff_matpes | MAE | 0.047 | AtomGPTLab | matpes | 434712 |
| AI | TokenClass | mat_scholar_ner_labels | transformers_xlnet | ACC | 0.7481 | ChemNLP | mat_scholar_ner | 123267 |
| AI | SinglePropertyPrediction | hmof_pld | matminer_xgboost | MAE | 0.5728 | UofT | hmof | 137651 |
| AI | SinglePropertyPrediction | hmof_void_fraction | alignn_model | MAE | 0.0174 | ALIGNN | hmof | 137651 |
| AI | SinglePropertyClass | dft_3d_magmom_oszicar | matminer_xgboost | ACC | 0.9489 | UofT | dft_3d | 52210 |
| AI | SinglePropertyClass | dft_3d_spillage | matminer_xgboost | ACC | 0.8364 | UofT | dft_3d | 11375 |
| AI | SinglePropertyPrediction | hmof_max_co2_adsp | matminer_xgboost | MAE | 0.4622 | UofT | hmof | 137651 |
| AI | SinglePropertyPrediction | hmof_surface_area_m2g | alignn_model | MAE | 91.1502 | ALIGNN | hmof | 137651 |
| AI | SinglePropertyPrediction | hmof_surface_area_m2cm3 | matminer_xgboost | MAE | 83.3575 | UofT | hmof | 137651 |
| AI | SinglePropertyPrediction | hmof_lcd | matminer_xgboost | MAE | 0.4585 | UofT | hmof | 137651 |
| AI | SinglePropertyPrediction | hmof_min_co2_adsp | alignn_model | MAE | 0.0383 | ALIGNN | hmof | 137651 |
| AI | SinglePropertyPrediction | qmof_bandgap | alignn_model | MAE | 0.2019 | ALIGNN | qmof | 20424 |
| AI | SinglePropertyClass | dft_3d_mbj_bandgap | matminer_xgboost | ACC | 0.9399 | UofT | dft_3d | 18167 |
| AI | SinglePropertyClass | dft_3d_optb88vdw_bandgap | matminer_xgboost | ACC | 0.9361 | UofT | dft_3d | 55713 |
| AI | SinglePropertyClass | dft_3d_slme | matminer_rf | ACC | 0.8422 | UofT | dft_3d | 9062 |
| AI | SinglePropertyClass | dft_3d_p_Seebeck | matminer_xgboost | ACC | 0.9332 | UofT | dft_3d | 23210 |
| AI | SinglePropertyClass | dft_3d_n_powerfact | matminer_xgboost | ACC | 0.8186 | UofT | dft_3d | 23210 |
| AI | SinglePropertyPrediction | vacancydb_2D_ef | alignnff_pretrained_wt0.1 | MAE | 1.0018 | JARVIS | vacancydb_2D | 72 |
| AI | SinglePropertyPrediction | vacancydb_elements_ef | alignnff_pretrained_wt0.1 | MAE | 1.1992 | JARVIS | vacancydb_elements | 74 |
| AI | SinglePropertyPrediction | vacancydb_oxides_ef | alignnff_pretrained_wt0.1 | MAE | 0.6091 | JARVIS | vacancydb_oxides | 65 |
| AI | SinglePropertyPrediction | vacancydb_ef | alignnff_pretrained_wt0.1 | MAE | 0.8739 | JARVIS | vacancydb | 530 |
| AI | TextSummary | arxiv_summary_text | transformers_t5_base | ROUGE | 0.2602 | ChemNLP | arxiv_summary | 87148 |
| AI | SinglePropertyPrediction | qm9_std_jctc_H | alignn_model | MAE | 0.014 | ALIGNN | qm9_std_jctc | 130829 |
| AI | Spectra | edos_pdos_ph_dos | alignn_model | MULTIMAE | 0.05772635693310998 | ALIGNN | edos_pdos | 14243 |
| AI | SinglePropertyPrediction | ocp100k_relaxed_energy | alignn_model | MAE | 0.6289 | ALIGNN | ocp100k | 149886 |
| AI | SinglePropertyPrediction | qm9_std_jctc_U | alignn_model | MAE | 0.0138 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_mu | alignn_model | MAE | 0.0248 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_R2 | alignn_model | MAE | 0.6523 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_G | alignn_model | MAE | 0.0133 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_Cv | alignn_model | MAE | 0.0239 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_LUMO | alignn_model | MAE | 0.0175 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_U0 | alignn_model | MAE | 0.0146 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_alpha | alignn_model | MAE | 0.0557 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_gap | alignn_model | MAE | 0.0345 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_HOMO | alignn_model | MAE | 0.0187 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | qm9_std_jctc_ZPVE | alignn_model | MAE | 0.0019 | ALIGNN | qm9_std_jctc | 130829 |
| AI | SinglePropertyPrediction | vacancydb_oxides_train_test_ef | crystal_feature_model | MAE | 0.7 | Crystal_Features | vacancydb_oxides_train_test | 30 |
| AI | TextClass | mmlu_test_quiz | gpt_oss_120b | ACC | 0.0 | AtomGPTLab | mmlu | 14042 |
| AI | MLFF | mptrj_energy | alignn2_radius | MAE | 0.051 | AtomGPTLab | mptrj | 76485 |
| AI | MLFF | mptrj_forces | alignn2_radius | MULTIMAE | 0.11178462060217215 | AtomGPTLab | mptrj | 76485 |
| AI | MLFF | matpes_stresses | alignn2_radius | MULTIMAE | 17.485322176393822 | AtomGPTLab | matpes | 434712 |