PDB_CCD_ID stringlengths 12 15 | algorithm stringclasses 7
values | outer_test_fold int64 0 4 | rmsd_angstrom float64 0.09 159,642,428B | pb_ratio float64 0.2 1 | runtime_seconds float64 0.32 3.55k | acquisition_strict_score float64 0 1 | native_evaluation_score float64 0 1 |
|---|---|---|---|---|---|---|---|
19gs_BSP_A_210 | surfdock | 0 | 3.634291 | 1 | 2.263974 | 0.007389 | 0.007389 |
19gs_BSP_A_210 | unimol | 0 | 0.644823 | 1 | 13.75 | 0.985572 | 0.985572 |
19gs_BSP_A_210 | diffdock | 0 | 7.450195 | 0.96 | 18.056119 | 0 | 0 |
19gs_BSP_A_210 | diffdock_l | 0 | 7.206403 | 1 | 21.760456 | 0 | 0 |
19gs_BSP_A_210 | gnina | 0 | 3.840972 | 1 | 1.711605 | 0.003988 | 0.003988 |
19gs_BSP_A_210 | autodock | 0 | 6.15412 | 1 | 2.440576 | 0.000004 | 0 |
19gs_BSP_A_210 | smina | 0 | 6.151682 | 1 | 0.702772 | 0.000004 | 0 |
19gs_BSP_B_210 | surfdock | 4 | 3.741212 | 1 | 2.353717 | 0.005372 | 0.005372 |
19gs_BSP_B_210 | unimol | 4 | 0.579319 | 1 | 17.23 | 0.988547 | 0.988547 |
19gs_BSP_B_210 | diffdock | 4 | 7.382316 | 1 | 20.320549 | 0 | 0 |
19gs_BSP_B_210 | diffdock_l | 4 | 31.2379 | 1 | 17.245006 | 0 | 0 |
19gs_BSP_B_210 | gnina | 4 | 5.543149 | 1 | 1.690263 | 0.000024 | 0 |
19gs_BSP_B_210 | autodock | 4 | 6.221635 | 1 | 2.379304 | 0.000003 | 0 |
19gs_BSP_B_210 | smina | 4 | 6.250186 | 1 | 0.67157 | 0.000003 | 0 |
1a49_OXL_A_533 | surfdock | 2 | 0.553174 | 1 | 2.164571 | 0.989584 | 0.989584 |
1a49_OXL_A_533 | unimol | 2 | 1.108573 | 1 | 28.33 | 0.937811 | 0.937811 |
1a49_OXL_A_533 | diffdock | 2 | 23.613648 | 0.965792 | 30.149476 | 0 | 0 |
1a49_OXL_A_533 | diffdock_l | 2 | 53,589,267,404,976.35 | 0.988103 | 28.001163 | 0 | 0 |
1a49_OXL_A_533 | gnina | 2 | 5.049315 | 1 | 26.874878 | 0.000107 | 0 |
1a49_OXL_A_533 | autodock | 2 | 5.122405 | 1 | 6.861748 | 0.000086 | 0 |
1a49_OXL_A_533 | smina | 2 | 5.346133 | 1 | 0.741339 | 0.000044 | 0 |
1a49_OXL_D_2333 | surfdock | 3 | 0.337182 | 1 | 2.031792 | 0.995692 | 0.995692 |
1a49_OXL_D_2333 | unimol | 3 | 0.903535 | 1 | 23.9 | 0.966453 | 0.966453 |
1a49_OXL_D_2333 | diffdock | 3 | 23.613648 | 0.965792 | 30.149476 | 0 | 0 |
1a49_OXL_D_2333 | diffdock_l | 3 | 53,589,267,404,976.35 | 0.988103 | 28.001163 | 0 | 0 |
1a49_OXL_D_2333 | gnina | 3 | 5.074966 | 1 | 17.972973 | 0.000099 | 0 |
1a49_OXL_D_2333 | autodock | 3 | 5.567008 | 1 | 7.571683 | 0.000023 | 0 |
1a49_OXL_D_2333 | smina | 3 | 5.477159 | 1 | 0.708913 | 0.00003 | 0 |
1a49_OXL_F_4133 | surfdock | 4 | 0.563041 | 1 | 2.261405 | 0.989202 | 0.989202 |
1a49_OXL_F_4133 | unimol | 4 | 1.369286 | 1 | 33.36 | 0.871154 | 0.871154 |
1a49_OXL_F_4133 | diffdock | 4 | 23.613648 | 0.965792 | 30.149476 | 0 | 0 |
1a49_OXL_F_4133 | diffdock_l | 4 | 53,589,267,404,976.35 | 0.988103 | 28.001163 | 0 | 0 |
1a49_OXL_F_4133 | gnina | 4 | 2.6335 | 1 | 27.762517 | 0.130374 | 0.130374 |
1a49_OXL_F_4133 | autodock | 4 | 5.555288 | 1 | 6.675899 | 0.000023 | 0 |
1a49_OXL_F_4133 | smina | 4 | 5.555391 | 1 | 0.71894 | 0.000023 | 0 |
1a59_CIT_A_379 | surfdock | 3 | 1.192165 | 0.96 | 2.901089 | 0 | 0 |
1a59_CIT_A_379 | unimol | 3 | 1.112212 | 1 | 20.12 | 0.937147 | 0.937147 |
1a59_CIT_A_379 | diffdock | 3 | 5.275451 | 0.96 | 21.737599 | 0 | 0 |
1a59_CIT_A_379 | diffdock_l | 3 | 2.576114 | 1 | 18.861387 | 0.151173 | 0.151173 |
1a59_CIT_A_379 | gnina | 3 | 1.81251 | 0.96 | 3.071155 | 0 | 0 |
1a59_CIT_A_379 | autodock | 3 | 3.690486 | 1 | 16.464523 | 0.00625 | 0.00625 |
1a59_CIT_A_379 | smina | 3 | 3.68513 | 1 | 1.468922 | 0.00635 | 0.00635 |
1a9r_HPA_A_290 | surfdock | 2 | 0.257488 | 0.96 | 2.227399 | 0 | 0 |
1a9r_HPA_A_290 | unimol | 2 | 0.159999 | 0.96 | 23.95 | 0 | 0 |
1a9r_HPA_A_290 | diffdock | 2 | 0.235963 | 0.96 | 13.292563 | 0 | 0 |
1a9r_HPA_A_290 | diffdock_l | 2 | 0.25823 | 1 | 12.847713 | 0.997116 | 0.997116 |
1a9r_HPA_A_290 | gnina | 2 | 0.613747 | 1 | 2.007269 | 0.987054 | 0.987054 |
1a9r_HPA_A_290 | autodock | 2 | 2.422918 | 1 | 2.976341 | 0.220015 | 0.220015 |
1a9r_HPA_A_290 | smina | 2 | 2.422699 | 1 | 0.592825 | 0.220128 | 0.220128 |
1ac4_TMT_A_296 | surfdock | 1 | 3.560626 | 0.96 | 2.202477 | 0 | 0 |
1ac4_TMT_A_296 | unimol | 1 | 0.713862 | 1 | 17.91 | 0.981762 | 0.981762 |
1ac4_TMT_A_296 | diffdock | 1 | 25.828119 | 0.96 | 13.248134 | 0 | 0 |
1ac4_TMT_A_296 | diffdock_l | 1 | 25.362143 | 1 | 11.189392 | 0 | 0 |
1ac4_TMT_A_296 | gnina | 1 | 0.963981 | 1 | 1.450538 | 0.959597 | 0.959597 |
1ac4_TMT_A_296 | autodock | 1 | 6.444954 | 0.92 | 3.08339 | 0 | 0 |
1ac4_TMT_A_296 | smina | 1 | 6.436235 | 0.92 | 0.58273 | 0 | 0 |
1aej_NVI_A_296 | surfdock | 2 | 1.483542 | 1 | 2.314679 | 0.826868 | 0.826868 |
1aej_NVI_A_296 | unimol | 2 | 0.63027 | 1 | 15.89 | 0.986283 | 0.986283 |
1aej_NVI_A_296 | diffdock | 2 | 26.283387 | 1 | 13.011947 | 0 | 0 |
1aej_NVI_A_296 | diffdock_l | 2 | 25.555598 | 1 | 11.29951 | 0 | 0 |
1aej_NVI_A_296 | gnina | 2 | 2.986828 | 1 | 1.396593 | 0.049365 | 0.049365 |
1aej_NVI_A_296 | autodock | 2 | 2.040882 | 0.96 | 5.965626 | 0 | 0 |
1aej_NVI_A_296 | smina | 2 | 2.040859 | 0.96 | 0.600638 | 0 | 0 |
1aer_TIA_B_700 | surfdock | 3 | 0.827492 | 0.96 | 2.891419 | 0 | 0 |
1aer_TIA_B_700 | unimol | 3 | 0.753339 | 0.96 | 21.82 | 0 | 0 |
1aer_TIA_B_700 | diffdock | 3 | 3.443361 | 1 | 21.594452 | 0.013028 | 0.013028 |
1aer_TIA_B_700 | diffdock_l | 3 | 2.539557 | 1 | 19.795724 | 0.165798 | 0.165798 |
1aer_TIA_B_700 | gnina | 3 | 2.481624 | 1 | 2.307893 | 0.191265 | 0.191265 |
1aer_TIA_B_700 | autodock | 3 | 4.9687 | 0.96 | 5.324222 | 0 | 0 |
1aer_TIA_B_700 | smina | 3 | 5.010748 | 0.96 | 2.023159 | 0 | 0 |
1aia_PMP_A_411 | surfdock | 3 | 2.430334 | 1 | 3.316329 | 0.216218 | 0.216218 |
1aia_PMP_A_411 | unimol | 3 | 0.7828 | 0.96 | 25.11 | 0 | 0 |
1aia_PMP_A_411 | diffdock | 3 | 0.529715 | 0.92 | 33.968404 | 0 | 0 |
1aia_PMP_A_411 | diffdock_l | 3 | 28.394612 | 1 | 34.460113 | 0 | 0 |
1aia_PMP_A_411 | gnina | 3 | 1.024804 | 1 | 3.221612 | 0.951449 | 0.951449 |
1aia_PMP_A_411 | autodock | 3 | 1.277875 | 1 | 16.990483 | 0.899413 | 0.899413 |
1aia_PMP_A_411 | smina | 3 | 0.992983 | 1 | 2.319177 | 0.95588 | 0.95588 |
1aia_PMP_B_411 | surfdock | 4 | 2.395595 | 1 | 3.319887 | 0.234414 | 0.234414 |
1aia_PMP_B_411 | unimol | 4 | 0.981692 | 0.96 | 22.7 | 0 | 0 |
1aia_PMP_B_411 | diffdock | 4 | 28.483772 | 0.92 | 37.19977 | 0 | 0 |
1aia_PMP_B_411 | diffdock_l | 4 | 28.333731 | 1 | 34.291445 | 0 | 0 |
1aia_PMP_B_411 | gnina | 4 | 1.04349 | 1 | 3.424438 | 0.948665 | 0.948665 |
1aia_PMP_B_411 | autodock | 4 | 4.701455 | 1 | 25.758161 | 0.000303 | 0.000303 |
1aia_PMP_B_411 | smina | 4 | 4.725668 | 1 | 2.14068 | 0.000282 | 0.000282 |
1aiq_CB3_A_266 | surfdock | 1 | 1.142958 | 1 | 4.803904 | 0.931283 | 0.931283 |
1aiq_CB3_A_266 | unimol | 1 | 0.753305 | 0.989181 | 23.16 | 0 | 0 |
1aiq_CB3_A_266 | diffdock | 1 | 23.613648 | 0.965792 | 30.149476 | 0 | 0 |
1aiq_CB3_A_266 | diffdock_l | 1 | 53,589,267,404,976.35 | 0.988103 | 28.001163 | 0 | 0 |
1aiq_CB3_A_266 | gnina | 1 | 2.487547 | 1 | 10.181382 | 0.18853 | 0.18853 |
1aiq_CB3_A_266 | autodock | 1 | 3.431793 | 0.24 | 25.429966 | 0 | 0 |
1aiq_CB3_A_266 | smina | 1 | 3.448024 | 0.24 | 10.9056 | 0 | 0 |
1aiq_UMP_A_265 | surfdock | 2 | 0.756591 | 1 | 3.574809 | 0.978995 | 0.978995 |
1aiq_UMP_A_265 | unimol | 2 | 1.520508 | 1 | 15.39 | 0.810222 | 0.810222 |
1aiq_UMP_A_265 | diffdock | 2 | 23.613648 | 0.965792 | 30.149476 | 0 | 0 |
1aiq_UMP_A_265 | diffdock_l | 2 | 53,589,267,404,976.35 | 0.988103 | 28.001163 | 0 | 0 |
1aiq_UMP_A_265 | gnina | 2 | 1.240147 | 1 | 3.434439 | 0.909418 | 0.909418 |
1aiq_UMP_A_265 | autodock | 2 | 1.243542 | 0.96 | 9.008929 | 0 | 0 |
1aiq_UMP_A_265 | smina | 2 | 1.238214 | 0.96 | 2.866801 | 0 | 0 |
1aiq_UMP_B_266 | surfdock | 0 | 0.923359 | 1 | 3.425591 | 0.964329 | 0.964329 |
1aiq_UMP_B_266 | unimol | 0 | 1.345345 | 0.989181 | 24.56 | 0 | 0 |
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