complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
4AI9-DZA | data/4A/4AI9-DZA/4AI9-DZA_ligand.pdbqt | data/4A/4AI9-DZA/4AI9-DZA_target.pdbqt | data/4A/4AI9-DZA/4AI9-DZA_decoys.pdbqt | data/4A/4AI9-DZA/4AI9-DZA_decoy_scores.csv |
4AX9-N5N | data/4A/4AX9-N5N/4AX9-N5N_ligand.pdbqt | data/4A/4AX9-N5N/4AX9-N5N_target.pdbqt | data/4A/4AX9-N5N/4AX9-N5N_decoys.pdbqt | data/4A/4AX9-N5N/4AX9-N5N_decoy_scores.csv |
4A4W-YFB | data/4A/4A4W-YFB/4A4W-YFB_ligand.pdbqt | data/4A/4A4W-YFB/4A4W-YFB_target.pdbqt | data/4A/4A4W-YFB/4A4W-YFB_decoys.pdbqt | data/4A/4A4W-YFB/4A4W-YFB_decoy_scores.csv |
4A06-ATP | data/4A/4A06-ATP/4A06-ATP_ligand.pdbqt | data/4A/4A06-ATP/4A06-ATP_target.pdbqt | data/4A/4A06-ATP/4A06-ATP_decoys.pdbqt | data/4A/4A06-ATP/4A06-ATP_decoy_scores.csv |
4AVS-N7P | data/4A/4AVS-N7P/4AVS-N7P_ligand.pdbqt | data/4A/4AVS-N7P/4AVS-N7P_target.pdbqt | data/4A/4AVS-N7P/4AVS-N7P_decoys.pdbqt | data/4A/4AVS-N7P/4AVS-N7P_decoy_scores.csv |
4ATG-NHE | data/4A/4ATG-NHE/4ATG-NHE_ligand.pdbqt | data/4A/4ATG-NHE/4ATG-NHE_target.pdbqt | data/4A/4ATG-NHE/4ATG-NHE_decoys.pdbqt | data/4A/4ATG-NHE/4ATG-NHE_decoy_scores.csv |
4A7C-E46 | data/4A/4A7C-E46/4A7C-E46_ligand.pdbqt | data/4A/4A7C-E46/4A7C-E46_target.pdbqt | data/4A/4A7C-E46/4A7C-E46_decoys.pdbqt | data/4A/4A7C-E46/4A7C-E46_decoy_scores.csv |
4AK4-P6G | data/4A/4AK4-P6G/4AK4-P6G_ligand.pdbqt | data/4A/4AK4-P6G/4AK4-P6G_target.pdbqt | data/4A/4AK4-P6G/4AK4-P6G_decoys.pdbqt | data/4A/4AK4-P6G/4AK4-P6G_decoy_scores.csv |
4AW0-MJF | data/4A/4AW0-MJF/4AW0-MJF_ligand.pdbqt | data/4A/4AW0-MJF/4AW0-MJF_target.pdbqt | data/4A/4AW0-MJF/4AW0-MJF_decoys.pdbqt | data/4A/4AW0-MJF/4AW0-MJF_decoy_scores.csv |
4A9Z-PE4 | data/4A/4A9Z-PE4/4A9Z-PE4_ligand.pdbqt | data/4A/4A9Z-PE4/4A9Z-PE4_target.pdbqt | data/4A/4A9Z-PE4/4A9Z-PE4_decoys.pdbqt | data/4A/4A9Z-PE4/4A9Z-PE4_decoy_scores.csv |
4AN1-2P8 | data/4A/4AN1-2P8/4AN1-2P8_ligand.pdbqt | data/4A/4AN1-2P8/4AN1-2P8_target.pdbqt | data/4A/4AN1-2P8/4AN1-2P8_decoys.pdbqt | data/4A/4AN1-2P8/4AN1-2P8_decoy_scores.csv |
4A9U-A9U | data/4A/4A9U-A9U/4A9U-A9U_ligand.pdbqt | data/4A/4A9U-A9U/4A9U-A9U_target.pdbqt | data/4A/4A9U-A9U/4A9U-A9U_decoys.pdbqt | data/4A/4A9U-A9U/4A9U-A9U_decoy_scores.csv |
4ADG-NGA | data/4A/4ADG-NGA/4ADG-NGA_ligand.pdbqt | data/4A/4ADG-NGA/4ADG-NGA_target.pdbqt | data/4A/4ADG-NGA/4ADG-NGA_decoys.pdbqt | data/4A/4ADG-NGA/4ADG-NGA_decoy_scores.csv |
4AA5-NQB | data/4A/4AA5-NQB/4AA5-NQB_ligand.pdbqt | data/4A/4AA5-NQB/4AA5-NQB_target.pdbqt | data/4A/4AA5-NQB/4AA5-NQB_decoys.pdbqt | data/4A/4AA5-NQB/4AA5-NQB_decoy_scores.csv |
4AT3-LTI | data/4A/4AT3-LTI/4AT3-LTI_ligand.pdbqt | data/4A/4AT3-LTI/4AT3-LTI_target.pdbqt | data/4A/4AT3-LTI/4AT3-LTI_decoys.pdbqt | data/4A/4AT3-LTI/4AT3-LTI_decoy_scores.csv |
4AQ6-OMD | data/4A/4AQ6-OMD/4AQ6-OMD_ligand.pdbqt | data/4A/4AQ6-OMD/4AQ6-OMD_target.pdbqt | data/4A/4AQ6-OMD/4AQ6-OMD_decoys.pdbqt | data/4A/4AQ6-OMD/4AQ6-OMD_decoy_scores.csv |
4A9H-TVP | data/4A/4A9H-TVP/4A9H-TVP_ligand.pdbqt | data/4A/4A9H-TVP/4A9H-TVP_target.pdbqt | data/4A/4A9H-TVP/4A9H-TVP_decoys.pdbqt | data/4A/4A9H-TVP/4A9H-TVP_decoy_scores.csv |
4A14-ADP | data/4A/4A14-ADP/4A14-ADP_ligand.pdbqt | data/4A/4A14-ADP/4A14-ADP_target.pdbqt | data/4A/4A14-ADP/4A14-ADP_decoys.pdbqt | data/4A/4A14-ADP/4A14-ADP_decoy_scores.csv |
4AA4-QC0 | data/4A/4AA4-QC0/4AA4-QC0_ligand.pdbqt | data/4A/4AA4-QC0/4AA4-QC0_target.pdbqt | data/4A/4AA4-QC0/4AA4-QC0_decoys.pdbqt | data/4A/4AA4-QC0/4AA4-QC0_decoy_scores.csv |
4AJH-88S | data/4A/4AJH-88S/4AJH-88S_ligand.pdbqt | data/4A/4AJH-88S/4AJH-88S_target.pdbqt | data/4A/4AJH-88S/4AJH-88S_decoys.pdbqt | data/4A/4AJH-88S/4AJH-88S_decoy_scores.csv |
4A4Z-ANP | data/4A/4A4Z-ANP/4A4Z-ANP_ligand.pdbqt | data/4A/4A4Z-ANP/4A4Z-ANP_target.pdbqt | data/4A/4A4Z-ANP/4A4Z-ANP_decoys.pdbqt | data/4A/4A4Z-ANP/4A4Z-ANP_decoy_scores.csv |
4AW0-ATP | data/4A/4AW0-ATP/4AW0-ATP_ligand.pdbqt | data/4A/4AW0-ATP/4AW0-ATP_target.pdbqt | data/4A/4AW0-ATP/4AW0-ATP_decoys.pdbqt | data/4A/4AW0-ATP/4AW0-ATP_decoy_scores.csv |
4A41-GAL | data/4A/4A41-GAL/4A41-GAL_ligand.pdbqt | data/4A/4A41-GAL/4A41-GAL_target.pdbqt | data/4A/4A41-GAL/4A41-GAL_decoys.pdbqt | data/4A/4A41-GAL/4A41-GAL_decoy_scores.csv |
4ASK-K0I | data/4A/4ASK-K0I/4ASK-K0I_ligand.pdbqt | data/4A/4ASK-K0I/4ASK-K0I_target.pdbqt | data/4A/4ASK-K0I/4ASK-K0I_decoys.pdbqt | data/4A/4ASK-K0I/4ASK-K0I_decoy_scores.csv |
4AJ2-52C | data/4A/4AJ2-52C/4AJ2-52C_ligand.pdbqt | data/4A/4AJ2-52C/4AJ2-52C_target.pdbqt | data/4A/4AJ2-52C/4AJ2-52C_decoys.pdbqt | data/4A/4AJ2-52C/4AJ2-52C_decoy_scores.csv |
4AUJ-HNW | data/4A/4AUJ-HNW/4AUJ-HNW_ligand.pdbqt | data/4A/4AUJ-HNW/4AUJ-HNW_target.pdbqt | data/4A/4AUJ-HNW/4AUJ-HNW_decoys.pdbqt | data/4A/4AUJ-HNW/4AUJ-HNW_decoy_scores.csv |
4AFK-LDA | data/4A/4AFK-LDA/4AFK-LDA_ligand.pdbqt | data/4A/4AFK-LDA/4AFK-LDA_target.pdbqt | data/4A/4AFK-LDA/4AFK-LDA_decoys.pdbqt | data/4A/4AFK-LDA/4AFK-LDA_decoy_scores.csv |
4A81-2AN | data/4A/4A81-2AN/4A81-2AN_ligand.pdbqt | data/4A/4A81-2AN/4A81-2AN_target.pdbqt | data/4A/4A81-2AN/4A81-2AN_decoys.pdbqt | data/4A/4A81-2AN/4A81-2AN_decoy_scores.csv |
4AC0-MIY | data/4A/4AC0-MIY/4AC0-MIY_ligand.pdbqt | data/4A/4AC0-MIY/4AC0-MIY_target.pdbqt | data/4A/4AC0-MIY/4AC0-MIY_decoys.pdbqt | data/4A/4AC0-MIY/4AC0-MIY_decoy_scores.csv |
4AZG-OAN | data/4A/4AZG-OAN/4AZG-OAN_ligand.pdbqt | data/4A/4AZG-OAN/4AZG-OAN_target.pdbqt | data/4A/4AZG-OAN/4AZG-OAN_decoys.pdbqt | data/4A/4AZG-OAN/4AZG-OAN_decoy_scores.csv |
4AQL-TXC | data/4A/4AQL-TXC/4AQL-TXC_ligand.pdbqt | data/4A/4AQL-TXC/4AQL-TXC_target.pdbqt | data/4A/4AQL-TXC/4AQL-TXC_decoys.pdbqt | data/4A/4AQL-TXC/4AQL-TXC_decoy_scores.csv |
4ALI-GLU | data/4A/4ALI-GLU/4ALI-GLU_ligand.pdbqt | data/4A/4ALI-GLU/4ALI-GLU_target.pdbqt | data/4A/4ALI-GLU/4ALI-GLU_decoys.pdbqt | data/4A/4ALI-GLU/4ALI-GLU_decoy_scores.csv |
4ACF-P3S | data/4A/4ACF-P3S/4ACF-P3S_ligand.pdbqt | data/4A/4ACF-P3S/4ACF-P3S_target.pdbqt | data/4A/4ACF-P3S/4ACF-P3S_decoys.pdbqt | data/4A/4ACF-P3S/4ACF-P3S_decoy_scores.csv |
4AN0-2P6 | data/4A/4AN0-2P6/4AN0-2P6_ligand.pdbqt | data/4A/4AN0-2P6/4AN0-2P6_target.pdbqt | data/4A/4AN0-2P6/4AN0-2P6_decoys.pdbqt | data/4A/4AN0-2P6/4AN0-2P6_decoy_scores.csv |
4AOO-DUR | data/4A/4AOO-DUR/4AOO-DUR_ligand.pdbqt | data/4A/4AOO-DUR/4AOO-DUR_target.pdbqt | data/4A/4AOO-DUR/4AOO-DUR_decoys.pdbqt | data/4A/4AOO-DUR/4AOO-DUR_decoy_scores.csv |
4AVK-FVQ | data/4A/4AVK-FVQ/4AVK-FVQ_ligand.pdbqt | data/4A/4AVK-FVQ/4AVK-FVQ_target.pdbqt | data/4A/4AVK-FVQ/4AVK-FVQ_decoys.pdbqt | data/4A/4AVK-FVQ/4AVK-FVQ_decoy_scores.csv |
4A2S-3NK | data/4A/4A2S-3NK/4A2S-3NK_ligand.pdbqt | data/4A/4A2S-3NK/4A2S-3NK_target.pdbqt | data/4A/4A2S-3NK/4A2S-3NK_decoys.pdbqt | data/4A/4A2S-3NK/4A2S-3NK_decoy_scores.csv |
4AL1-48T | data/4A/4AL1-48T/4AL1-48T_ligand.pdbqt | data/4A/4AL1-48T/4AL1-48T_target.pdbqt | data/4A/4AL1-48T/4AL1-48T_decoys.pdbqt | data/4A/4AL1-48T/4AL1-48T_decoy_scores.csv |
4A9J-TYL | data/4A/4A9J-TYL/4A9J-TYL_ligand.pdbqt | data/4A/4A9J-TYL/4A9J-TYL_target.pdbqt | data/4A/4A9J-TYL/4A9J-TYL_decoys.pdbqt | data/4A/4A9J-TYL/4A9J-TYL_decoy_scores.csv |
4AGP-P51 | data/4A/4AGP-P51/4AGP-P51_ligand.pdbqt | data/4A/4AGP-P51/4AGP-P51_target.pdbqt | data/4A/4AGP-P51/4AGP-P51_decoys.pdbqt | data/4A/4AGP-P51/4AGP-P51_decoy_scores.csv |
4ARE-FLC | data/4A/4ARE-FLC/4ARE-FLC_ligand.pdbqt | data/4A/4ARE-FLC/4ARE-FLC_target.pdbqt | data/4A/4ARE-FLC/4ARE-FLC_decoys.pdbqt | data/4A/4ARE-FLC/4ARE-FLC_decoy_scores.csv |
4AWT-FMN | data/4A/4AWT-FMN/4AWT-FMN_ligand.pdbqt | data/4A/4AWT-FMN/4AWT-FMN_target.pdbqt | data/4A/4AWT-FMN/4AWT-FMN_decoys.pdbqt | data/4A/4AWT-FMN/4AWT-FMN_decoy_scores.csv |
4AUB-FLC | data/4A/4AUB-FLC/4AUB-FLC_ligand.pdbqt | data/4A/4AUB-FLC/4AUB-FLC_target.pdbqt | data/4A/4AUB-FLC/4AUB-FLC_decoys.pdbqt | data/4A/4AUB-FLC/4AUB-FLC_decoy_scores.csv |
4AB8-VXU | data/4A/4AB8-VXU/4AB8-VXU_ligand.pdbqt | data/4A/4AB8-VXU/4AB8-VXU_target.pdbqt | data/4A/4AB8-VXU/4AB8-VXU_decoys.pdbqt | data/4A/4AB8-VXU/4AB8-VXU_decoy_scores.csv |
4AMV-F6R | data/4A/4AMV-F6R/4AMV-F6R_ligand.pdbqt | data/4A/4AMV-F6R/4AMV-F6R_target.pdbqt | data/4A/4AMV-F6R/4AMV-F6R_decoys.pdbqt | data/4A/4AMV-F6R/4AMV-F6R_decoy_scores.csv |
4AZW-ATP | data/4A/4AZW-ATP/4AZW-ATP_ligand.pdbqt | data/4A/4AZW-ATP/4AZW-ATP_target.pdbqt | data/4A/4AZW-ATP/4AZW-ATP_decoys.pdbqt | data/4A/4AZW-ATP/4AZW-ATP_decoy_scores.csv |
4AVL-TMP | data/4A/4AVL-TMP/4AVL-TMP_ligand.pdbqt | data/4A/4AVL-TMP/4AVL-TMP_target.pdbqt | data/4A/4AVL-TMP/4AVL-TMP_decoys.pdbqt | data/4A/4AVL-TMP/4AVL-TMP_decoy_scores.csv |
4AWP-99A | data/4A/4AWP-99A/4AWP-99A_ligand.pdbqt | data/4A/4AWP-99A/4AWP-99A_target.pdbqt | data/4A/4AWP-99A/4AWP-99A_decoys.pdbqt | data/4A/4AWP-99A/4AWP-99A_decoy_scores.csv |
4AQC-88A | data/4A/4AQC-88A/4AQC-88A_ligand.pdbqt | data/4A/4AQC-88A/4AQC-88A_target.pdbqt | data/4A/4AQC-88A/4AQC-88A_decoys.pdbqt | data/4A/4AQC-88A/4AQC-88A_decoy_scores.csv |
4A6N-T1C | data/4A/4A6N-T1C/4A6N-T1C_ligand.pdbqt | data/4A/4A6N-T1C/4A6N-T1C_target.pdbqt | data/4A/4A6N-T1C/4A6N-T1C_decoys.pdbqt | data/4A/4A6N-T1C/4A6N-T1C_decoy_scores.csv |
4A9C-B5F | data/4A/4A9C-B5F/4A9C-B5F_ligand.pdbqt | data/4A/4A9C-B5F/4A9C-B5F_target.pdbqt | data/4A/4A9C-B5F/4A9C-B5F_decoys.pdbqt | data/4A/4A9C-B5F/4A9C-B5F_decoy_scores.csv |
4ACC-7YG | data/4A/4ACC-7YG/4ACC-7YG_ligand.pdbqt | data/4A/4ACC-7YG/4ACC-7YG_target.pdbqt | data/4A/4ACC-7YG/4ACC-7YG_decoys.pdbqt | data/4A/4ACC-7YG/4ACC-7YG_decoy_scores.csv |
4A95-9MT | data/4A/4A95-9MT/4A95-9MT_ligand.pdbqt | data/4A/4A95-9MT/4A95-9MT_target.pdbqt | data/4A/4A95-9MT/4A95-9MT_decoys.pdbqt | data/4A/4A95-9MT/4A95-9MT_decoy_scores.csv |
4ALJ-CH8 | data/4A/4ALJ-CH8/4ALJ-CH8_ligand.pdbqt | data/4A/4ALJ-CH8/4ALJ-CH8_target.pdbqt | data/4A/4ALJ-CH8/4ALJ-CH8_decoys.pdbqt | data/4A/4ALJ-CH8/4ALJ-CH8_decoy_scores.csv |
4AT5-MUJ | data/4A/4AT5-MUJ/4AT5-MUJ_ligand.pdbqt | data/4A/4AT5-MUJ/4AT5-MUJ_target.pdbqt | data/4A/4AT5-MUJ/4AT5-MUJ_decoys.pdbqt | data/4A/4AT5-MUJ/4AT5-MUJ_decoy_scores.csv |
4A8G-DMX | data/4A/4A8G-DMX/4A8G-DMX_ligand.pdbqt | data/4A/4A8G-DMX/4A8G-DMX_target.pdbqt | data/4A/4A8G-DMX/4A8G-DMX_decoys.pdbqt | data/4A/4A8G-DMX/4A8G-DMX_decoy_scores.csv |
4AZY-7F3 | data/4A/4AZY-7F3/4AZY-7F3_ligand.pdbqt | data/4A/4AZY-7F3/4AZY-7F3_target.pdbqt | data/4A/4AZY-7F3/4AZY-7F3_decoys.pdbqt | data/4A/4AZY-7F3/4AZY-7F3_decoy_scores.csv |
4ANP-3QI | data/4A/4ANP-3QI/4ANP-3QI_ligand.pdbqt | data/4A/4ANP-3QI/4ANP-3QI_target.pdbqt | data/4A/4ANP-3QI/4ANP-3QI_decoys.pdbqt | data/4A/4ANP-3QI/4ANP-3QI_decoy_scores.csv |
4ARO-IHS | data/4A/4ARO-IHS/4ARO-IHS_ligand.pdbqt | data/4A/4ARO-IHS/4ARO-IHS_target.pdbqt | data/4A/4ARO-IHS/4ARO-IHS_decoys.pdbqt | data/4A/4ARO-IHS/4ARO-IHS_decoy_scores.csv |
4AC4-HKA | data/4A/4AC4-HKA/4AC4-HKA_ligand.pdbqt | data/4A/4AC4-HKA/4AC4-HKA_target.pdbqt | data/4A/4AC4-HKA/4AC4-HKA_decoys.pdbqt | data/4A/4AC4-HKA/4AC4-HKA_decoy_scores.csv |
4AWU-FMN | data/4A/4AWU-FMN/4AWU-FMN_ligand.pdbqt | data/4A/4AWU-FMN/4AWU-FMN_target.pdbqt | data/4A/4AWU-FMN/4AWU-FMN_decoys.pdbqt | data/4A/4AWU-FMN/4AWU-FMN_decoy_scores.csv |
4AF0-IMP | data/4A/4AF0-IMP/4AF0-IMP_ligand.pdbqt | data/4A/4AF0-IMP/4AF0-IMP_target.pdbqt | data/4A/4AF0-IMP/4AF0-IMP_decoys.pdbqt | data/4A/4AF0-IMP/4AF0-IMP_decoy_scores.csv |
4AMF-ACP | data/4A/4AMF-ACP/4AMF-ACP_ligand.pdbqt | data/4A/4AMF-ACP/4AMF-ACP_target.pdbqt | null | null |
4AJ3-ICT | data/4A/4AJ3-ICT/4AJ3-ICT_ligand.pdbqt | data/4A/4AJ3-ICT/4AJ3-ICT_target.pdbqt | data/4A/4AJ3-ICT/4AJ3-ICT_decoys.pdbqt | data/4A/4AJ3-ICT/4AJ3-ICT_decoy_scores.csv |
4AMZ-2P4 | data/4A/4AMZ-2P4/4AMZ-2P4_ligand.pdbqt | data/4A/4AMZ-2P4/4AMZ-2P4_target.pdbqt | data/4A/4AMZ-2P4/4AMZ-2P4_decoys.pdbqt | data/4A/4AMZ-2P4/4AMZ-2P4_decoy_scores.csv |
4ALK-GLU | data/4A/4ALK-GLU/4ALK-GLU_ligand.pdbqt | data/4A/4ALK-GLU/4ALK-GLU_target.pdbqt | data/4A/4ALK-GLU/4ALK-GLU_decoys.pdbqt | data/4A/4ALK-GLU/4ALK-GLU_decoy_scores.csv |
4A7W-GTP | data/4A/4A7W-GTP/4A7W-GTP_ligand.pdbqt | data/4A/4A7W-GTP/4A7W-GTP_target.pdbqt | data/4A/4A7W-GTP/4A7W-GTP_decoys.pdbqt | data/4A/4A7W-GTP/4A7W-GTP_decoy_scores.csv |
4AFJ-SJJ | data/4A/4AFJ-SJJ/4AFJ-SJJ_ligand.pdbqt | data/4A/4AFJ-SJJ/4AFJ-SJJ_target.pdbqt | data/4A/4AFJ-SJJ/4AFJ-SJJ_decoys.pdbqt | data/4A/4AFJ-SJJ/4AFJ-SJJ_decoy_scores.csv |
4AJN-88V | data/4A/4AJN-88V/4AJN-88V_ligand.pdbqt | data/4A/4AJN-88V/4AJN-88V_target.pdbqt | data/4A/4AJN-88V/4AJN-88V_decoys.pdbqt | data/4A/4AJN-88V/4AJN-88V_decoy_scores.csv |
4AOI-4K0 | data/4A/4AOI-4K0/4AOI-4K0_ligand.pdbqt | data/4A/4AOI-4K0/4AOI-4K0_target.pdbqt | data/4A/4AOI-4K0/4AOI-4K0_decoys.pdbqt | data/4A/4AOI-4K0/4AOI-4K0_decoy_scores.csv |
4ABV-FT2 | data/4A/4ABV-FT2/4ABV-FT2_ligand.pdbqt | data/4A/4ABV-FT2/4ABV-FT2_target.pdbqt | data/4A/4ABV-FT2/4ABV-FT2_decoys.pdbqt | data/4A/4ABV-FT2/4ABV-FT2_decoy_scores.csv |
4A29-3NK | data/4A/4A29-3NK/4A29-3NK_ligand.pdbqt | data/4A/4A29-3NK/4A29-3NK_target.pdbqt | data/4A/4A29-3NK/4A29-3NK_decoys.pdbqt | data/4A/4A29-3NK/4A29-3NK_decoy_scores.csv |
4AQ6-B3P | data/4A/4AQ6-B3P/4AQ6-B3P_ligand.pdbqt | data/4A/4AQ6-B3P/4AQ6-B3P_target.pdbqt | data/4A/4AQ6-B3P/4AQ6-B3P_decoys.pdbqt | data/4A/4AQ6-B3P/4AQ6-B3P_decoy_scores.csv |
4A7S-5UD | data/4A/4A7S-5UD/4A7S-5UD_ligand.pdbqt | data/4A/4A7S-5UD/4A7S-5UD_target.pdbqt | data/4A/4A7S-5UD/4A7S-5UD_decoys.pdbqt | data/4A/4A7S-5UD/4A7S-5UD_decoy_scores.csv |
4AYR-IFL | data/4A/4AYR-IFL/4AYR-IFL_ligand.pdbqt | data/4A/4AYR-IFL/4AYR-IFL_target.pdbqt | data/4A/4AYR-IFL/4AYR-IFL_decoys.pdbqt | data/4A/4AYR-IFL/4AYR-IFL_decoy_scores.csv |
4AVJ-J73 | data/4A/4AVJ-J73/4AVJ-J73_ligand.pdbqt | data/4A/4AVJ-J73/4AVJ-J73_target.pdbqt | data/4A/4AVJ-J73/4AVJ-J73_decoys.pdbqt | data/4A/4AVJ-J73/4AVJ-J73_decoy_scores.csv |
4AD3-GLC | data/4A/4AD3-GLC/4AD3-GLC_ligand.pdbqt | data/4A/4AD3-GLC/4AD3-GLC_target.pdbqt | data/4A/4AD3-GLC/4AD3-GLC_decoys.pdbqt | data/4A/4AD3-GLC/4AD3-GLC_decoy_scores.csv |
4AJJ-88R | data/4A/4AJJ-88R/4AJJ-88R_ligand.pdbqt | data/4A/4AJJ-88R/4AJJ-88R_target.pdbqt | data/4A/4AJJ-88R/4AJJ-88R_decoys.pdbqt | data/4A/4AJJ-88R/4AJJ-88R_decoy_scores.csv |
4A6W-5C1 | data/4A/4A6W-5C1/4A6W-5C1_ligand.pdbqt | data/4A/4A6W-5C1/4A6W-5C1_target.pdbqt | data/4A/4A6W-5C1/4A6W-5C1_decoys.pdbqt | data/4A/4A6W-5C1/4A6W-5C1_decoy_scores.csv |
4AKN-S5B | data/4A/4AKN-S5B/4AKN-S5B_ligand.pdbqt | data/4A/4AKN-S5B/4AKN-S5B_target.pdbqt | data/4A/4AKN-S5B/4AKN-S5B_decoys.pdbqt | data/4A/4AKN-S5B/4AKN-S5B_decoy_scores.csv |
4A3U-FMN | data/4A/4A3U-FMN/4A3U-FMN_ligand.pdbqt | data/4A/4A3U-FMN/4A3U-FMN_target.pdbqt | data/4A/4A3U-FMN/4A3U-FMN_decoys.pdbqt | data/4A/4A3U-FMN/4A3U-FMN_decoy_scores.csv |
4AFQ-CPS | data/4A/4AFQ-CPS/4AFQ-CPS_ligand.pdbqt | data/4A/4AFQ-CPS/4AFQ-CPS_target.pdbqt | data/4A/4AFQ-CPS/4AFQ-CPS_decoys.pdbqt | data/4A/4AFQ-CPS/4AFQ-CPS_decoy_scores.csv |
4AOA-IK2 | data/4A/4AOA-IK2/4AOA-IK2_ligand.pdbqt | data/4A/4AOA-IK2/4AOA-IK2_target.pdbqt | data/4A/4AOA-IK2/4AOA-IK2_decoys.pdbqt | data/4A/4AOA-IK2/4AOA-IK2_decoy_scores.csv |
4AOT-GW8 | data/4A/4AOT-GW8/4AOT-GW8_ligand.pdbqt | data/4A/4AOT-GW8/4AOT-GW8_target.pdbqt | data/4A/4AOT-GW8/4AOT-GW8_decoys.pdbqt | data/4A/4AOT-GW8/4AOT-GW8_decoy_scores.csv |
4A6D-SAM | data/4A/4A6D-SAM/4A6D-SAM_ligand.pdbqt | data/4A/4A6D-SAM/4A6D-SAM_target.pdbqt | data/4A/4A6D-SAM/4A6D-SAM_decoys.pdbqt | data/4A/4A6D-SAM/4A6D-SAM_decoy_scores.csv |
4A3W-FLC | data/4A/4A3W-FLC/4A3W-FLC_ligand.pdbqt | data/4A/4A3W-FLC/4A3W-FLC_target.pdbqt | data/4A/4A3W-FLC/4A3W-FLC_decoys.pdbqt | data/4A/4A3W-FLC/4A3W-FLC_decoy_scores.csv |
4AZI-OAN | data/4A/4AZI-OAN/4AZI-OAN_ligand.pdbqt | data/4A/4AZI-OAN/4AZI-OAN_target.pdbqt | data/4A/4AZI-OAN/4AZI-OAN_decoys.pdbqt | data/4A/4AZI-OAN/4AZI-OAN_decoy_scores.csv |
4AJS-ICT | data/4A/4AJS-ICT/4AJS-ICT_ligand.pdbqt | data/4A/4AJS-ICT/4AJS-ICT_target.pdbqt | data/4A/4AJS-ICT/4AJS-ICT_decoys.pdbqt | data/4A/4AJS-ICT/4AJS-ICT_decoy_scores.csv |
4A31-2CB | data/4A/4A31-2CB/4A31-2CB_ligand.pdbqt | data/4A/4A31-2CB/4A31-2CB_target.pdbqt | data/4A/4A31-2CB/4A31-2CB_decoys.pdbqt | data/4A/4A31-2CB/4A31-2CB_decoy_scores.csv |
4AIW-IHP | data/4A/4AIW-IHP/4AIW-IHP_ligand.pdbqt | data/4A/4AIW-IHP/4AIW-IHP_target.pdbqt | data/4A/4AIW-IHP/4AIW-IHP_decoys.pdbqt | data/4A/4AIW-IHP/4AIW-IHP_decoy_scores.csv |
4AYQ-MVL | data/4A/4AYQ-MVL/4AYQ-MVL_ligand.pdbqt | data/4A/4AYQ-MVL/4AYQ-MVL_target.pdbqt | data/4A/4AYQ-MVL/4AYQ-MVL_decoys.pdbqt | data/4A/4AYQ-MVL/4AYQ-MVL_decoy_scores.csv |
4ARA-C56 | data/4A/4ARA-C56/4ARA-C56_ligand.pdbqt | data/4A/4ARA-C56/4ARA-C56_target.pdbqt | data/4A/4ARA-C56/4ARA-C56_decoys.pdbqt | data/4A/4ARA-C56/4ARA-C56_decoy_scores.csv |
4ARB-C57 | data/4A/4ARB-C57/4ARB-C57_ligand.pdbqt | data/4A/4ARB-C57/4ARB-C57_target.pdbqt | data/4A/4ARB-C57/4ARB-C57_decoys.pdbqt | data/4A/4ARB-C57/4ARB-C57_decoy_scores.csv |
4AZH-LOG | data/4A/4AZH-LOG/4AZH-LOG_ligand.pdbqt | data/4A/4AZH-LOG/4AZH-LOG_target.pdbqt | data/4A/4AZH-LOG/4AZH-LOG_decoys.pdbqt | data/4A/4AZH-LOG/4AZH-LOG_decoy_scores.csv |
4AAC-AAV | data/4A/4AAC-AAV/4AAC-AAV_ligand.pdbqt | data/4A/4AAC-AAV/4AAC-AAV_target.pdbqt | data/4A/4AAC-AAV/4AAC-AAV_decoys.pdbqt | data/4A/4AAC-AAV/4AAC-AAV_decoy_scores.csv |
4AWU-PE4 | data/4A/4AWU-PE4/4AWU-PE4_ligand.pdbqt | data/4A/4AWU-PE4/4AWU-PE4_target.pdbqt | data/4A/4AWU-PE4/4AWU-PE4_decoys.pdbqt | data/4A/4AWU-PE4/4AWU-PE4_decoy_scores.csv |
4AGO-P74 | data/4A/4AGO-P74/4AGO-P74_ligand.pdbqt | data/4A/4AGO-P74/4AGO-P74_target.pdbqt | data/4A/4AGO-P74/4AGO-P74_decoys.pdbqt | data/4A/4AGO-P74/4AGO-P74_decoy_scores.csv |
4AVX-ITP | data/4A/4AVX-ITP/4AVX-ITP_ligand.pdbqt | data/4A/4AVX-ITP/4AVX-ITP_target.pdbqt | data/4A/4AVX-ITP/4AVX-ITP_decoys.pdbqt | data/4A/4AVX-ITP/4AVX-ITP_decoy_scores.csv |
4ARB-P6G | data/4A/4ARB-P6G/4ARB-P6G_ligand.pdbqt | data/4A/4ARB-P6G/4ARB-P6G_target.pdbqt | data/4A/4ARB-P6G/4ARB-P6G_decoys.pdbqt | data/4A/4ARB-P6G/4ARB-P6G_decoy_scores.csv |
4AHR-I2E | data/4A/4AHR-I2E/4AHR-I2E_ligand.pdbqt | data/4A/4AHR-I2E/4AHR-I2E_target.pdbqt | data/4A/4AHR-I2E/4AHR-I2E_decoys.pdbqt | data/4A/4AHR-I2E/4AHR-I2E_decoy_scores.csv |
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