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 ⌀ |
|---|---|---|---|---|
2PJL-047 | data/2P/2PJL-047/2PJL-047_ligand.pdbqt | data/2P/2PJL-047/2PJL-047_target.pdbqt | data/2P/2PJL-047/2PJL-047_decoys.pdbqt | data/2P/2PJL-047/2PJL-047_decoy_scores.csv |
2PWD-NOJ | data/2P/2PWD-NOJ/2PWD-NOJ_ligand.pdbqt | data/2P/2PWD-NOJ/2PWD-NOJ_target.pdbqt | data/2P/2PWD-NOJ/2PWD-NOJ_decoys.pdbqt | data/2P/2PWD-NOJ/2PWD-NOJ_decoy_scores.csv |
2P3L-SAH | data/2P/2P3L-SAH/2P3L-SAH_ligand.pdbqt | data/2P/2P3L-SAH/2P3L-SAH_target.pdbqt | data/2P/2P3L-SAH/2P3L-SAH_decoys.pdbqt | data/2P/2P3L-SAH/2P3L-SAH_decoy_scores.csv |
2PNZ-UDP | data/2P/2PNZ-UDP/2PNZ-UDP_ligand.pdbqt | data/2P/2PNZ-UDP/2PNZ-UDP_target.pdbqt | data/2P/2PNZ-UDP/2PNZ-UDP_decoys.pdbqt | data/2P/2PNZ-UDP/2PNZ-UDP_decoy_scores.csv |
2PUL-CPS | data/2P/2PUL-CPS/2PUL-CPS_ligand.pdbqt | data/2P/2PUL-CPS/2PUL-CPS_target.pdbqt | data/2P/2PUL-CPS/2PUL-CPS_decoys.pdbqt | data/2P/2PUL-CPS/2PUL-CPS_decoy_scores.csv |
2PQF-GAB | data/2P/2PQF-GAB/2PQF-GAB_ligand.pdbqt | data/2P/2PQF-GAB/2PQF-GAB_target.pdbqt | data/2P/2PQF-GAB/2PQF-GAB_decoys.pdbqt | data/2P/2PQF-GAB/2PQF-GAB_decoy_scores.csv |
2PLX-FLC | data/2P/2PLX-FLC/2PLX-FLC_ligand.pdbqt | data/2P/2PLX-FLC/2PLX-FLC_target.pdbqt | data/2P/2PLX-FLC/2PLX-FLC_decoys.pdbqt | data/2P/2PLX-FLC/2PLX-FLC_decoy_scores.csv |
2PWU-GUN | data/2P/2PWU-GUN/2PWU-GUN_ligand.pdbqt | data/2P/2PWU-GUN/2PWU-GUN_target.pdbqt | data/2P/2PWU-GUN/2PWU-GUN_decoys.pdbqt | data/2P/2PWU-GUN/2PWU-GUN_decoy_scores.csv |
2PAR-TMP | data/2P/2PAR-TMP/2PAR-TMP_ligand.pdbqt | data/2P/2PAR-TMP/2PAR-TMP_target.pdbqt | data/2P/2PAR-TMP/2PAR-TMP_decoys.pdbqt | data/2P/2PAR-TMP/2PAR-TMP_decoy_scores.csv |
2POC-UD1 | data/2P/2POC-UD1/2POC-UD1_ligand.pdbqt | data/2P/2POC-UD1/2POC-UD1_target.pdbqt | data/2P/2POC-UD1/2POC-UD1_decoys.pdbqt | data/2P/2POC-UD1/2POC-UD1_decoy_scores.csv |
2PRH-FMN | data/2P/2PRH-FMN/2PRH-FMN_ligand.pdbqt | data/2P/2PRH-FMN/2PRH-FMN_target.pdbqt | data/2P/2PRH-FMN/2PRH-FMN_decoys.pdbqt | data/2P/2PRH-FMN/2PRH-FMN_decoy_scores.csv |
2P2Q-PRX | data/2P/2P2Q-PRX/2P2Q-PRX_ligand.pdbqt | data/2P/2P2Q-PRX/2P2Q-PRX_target.pdbqt | data/2P/2P2Q-PRX/2P2Q-PRX_decoys.pdbqt | data/2P/2P2Q-PRX/2P2Q-PRX_decoy_scores.csv |
2P70-PRZ | data/2P/2P70-PRZ/2P70-PRZ_ligand.pdbqt | data/2P/2P70-PRZ/2P70-PRZ_target.pdbqt | data/2P/2P70-PRZ/2P70-PRZ_decoys.pdbqt | data/2P/2P70-PRZ/2P70-PRZ_decoy_scores.csv |
2P0C-ANP | data/2P/2P0C-ANP/2P0C-ANP_ligand.pdbqt | data/2P/2P0C-ANP/2P0C-ANP_target.pdbqt | data/2P/2P0C-ANP/2P0C-ANP_decoys.pdbqt | data/2P/2P0C-ANP/2P0C-ANP_decoy_scores.csv |
2PE7-PDC | data/2P/2PE7-PDC/2PE7-PDC_ligand.pdbqt | data/2P/2PE7-PDC/2PE7-PDC_target.pdbqt | null | null |
2PDI-ZST | data/2P/2PDI-ZST/2PDI-ZST_ligand.pdbqt | data/2P/2PDI-ZST/2PDI-ZST_target.pdbqt | data/2P/2PDI-ZST/2PDI-ZST_decoys.pdbqt | data/2P/2PDI-ZST/2PDI-ZST_decoy_scores.csv |
2PIU-4HY | data/2P/2PIU-4HY/2PIU-4HY_ligand.pdbqt | data/2P/2PIU-4HY/2PIU-4HY_target.pdbqt | data/2P/2PIU-4HY/2PIU-4HY_decoys.pdbqt | data/2P/2PIU-4HY/2PIU-4HY_decoy_scores.csv |
2PE2-464 | data/2P/2PE2-464/2PE2-464_ligand.pdbqt | data/2P/2PE2-464/2PE2-464_target.pdbqt | data/2P/2PE2-464/2PE2-464_decoys.pdbqt | data/2P/2PE2-464/2PE2-464_decoy_scores.csv |
2PVF-ACP | data/2P/2PVF-ACP/2PVF-ACP_ligand.pdbqt | data/2P/2PVF-ACP/2PVF-ACP_target.pdbqt | data/2P/2PVF-ACP/2PVF-ACP_decoys.pdbqt | data/2P/2PVF-ACP/2PVF-ACP_decoy_scores.csv |
2PXA-GTP | data/2P/2PXA-GTP/2PXA-GTP_ligand.pdbqt | data/2P/2PXA-GTP/2PXA-GTP_target.pdbqt | data/2P/2PXA-GTP/2PXA-GTP_decoys.pdbqt | data/2P/2PXA-GTP/2PXA-GTP_decoy_scores.csv |
2PTY-PEP | data/2P/2PTY-PEP/2PTY-PEP_ligand.pdbqt | data/2P/2PTY-PEP/2PTY-PEP_target.pdbqt | data/2P/2PTY-PEP/2PTY-PEP_decoys.pdbqt | data/2P/2PTY-PEP/2PTY-PEP_decoy_scores.csv |
2PKS-G44 | data/2P/2PKS-G44/2PKS-G44_ligand.pdbqt | data/2P/2PKS-G44/2PKS-G44_target.pdbqt | data/2P/2PKS-G44/2PKS-G44_decoys.pdbqt | data/2P/2PKS-G44/2PKS-G44_decoy_scores.csv |
2PIO-DHT | data/2P/2PIO-DHT/2PIO-DHT_ligand.pdbqt | data/2P/2PIO-DHT/2PIO-DHT_target.pdbqt | data/2P/2PIO-DHT/2PIO-DHT_decoys.pdbqt | data/2P/2PIO-DHT/2PIO-DHT_decoy_scores.csv |
2PIO-2MI | data/2P/2PIO-2MI/2PIO-2MI_ligand.pdbqt | data/2P/2PIO-2MI/2PIO-2MI_target.pdbqt | data/2P/2PIO-2MI/2PIO-2MI_decoys.pdbqt | data/2P/2PIO-2MI/2PIO-2MI_decoy_scores.csv |
2P7U-D1R | data/2P/2P7U-D1R/2P7U-D1R_ligand.pdbqt | data/2P/2P7U-D1R/2P7U-D1R_target.pdbqt | data/2P/2P7U-D1R/2P7U-D1R_decoys.pdbqt | data/2P/2P7U-D1R/2P7U-D1R_decoy_scores.csv |
2P6W-FLC | data/2P/2P6W-FLC/2P6W-FLC_ligand.pdbqt | data/2P/2P6W-FLC/2P6W-FLC_target.pdbqt | data/2P/2P6W-FLC/2P6W-FLC_decoys.pdbqt | data/2P/2P6W-FLC/2P6W-FLC_decoy_scores.csv |
2PJ5-11B | data/2P/2PJ5-11B/2PJ5-11B_ligand.pdbqt | data/2P/2PJ5-11B/2PJ5-11B_target.pdbqt | data/2P/2PJ5-11B/2PJ5-11B_decoys.pdbqt | data/2P/2PJ5-11B/2PJ5-11B_decoy_scores.csv |
2PTF-FMN | data/2P/2PTF-FMN/2PTF-FMN_ligand.pdbqt | data/2P/2PTF-FMN/2PTF-FMN_target.pdbqt | data/2P/2PTF-FMN/2PTF-FMN_decoys.pdbqt | data/2P/2PTF-FMN/2PTF-FMN_decoy_scores.csv |
2P1C-GG3 | data/2P/2P1C-GG3/2P1C-GG3_ligand.pdbqt | data/2P/2P1C-GG3/2P1C-GG3_target.pdbqt | data/2P/2P1C-GG3/2P1C-GG3_decoys.pdbqt | data/2P/2P1C-GG3/2P1C-GG3_decoy_scores.csv |
2PIX-DHT | data/2P/2PIX-DHT/2PIX-DHT_ligand.pdbqt | data/2P/2PIX-DHT/2PIX-DHT_target.pdbqt | data/2P/2PIX-DHT/2PIX-DHT_decoys.pdbqt | data/2P/2PIX-DHT/2PIX-DHT_decoy_scores.csv |
2P8C-SUG | data/2P/2P8C-SUG/2P8C-SUG_ligand.pdbqt | data/2P/2P8C-SUG/2P8C-SUG_target.pdbqt | data/2P/2P8C-SUG/2P8C-SUG_decoys.pdbqt | data/2P/2P8C-SUG/2P8C-SUG_decoy_scores.csv |
2PAX-4AN | data/2P/2PAX-4AN/2PAX-4AN_ligand.pdbqt | data/2P/2PAX-4AN/2PAX-4AN_target.pdbqt | data/2P/2PAX-4AN/2PAX-4AN_decoys.pdbqt | data/2P/2PAX-4AN/2PAX-4AN_decoy_scores.csv |
2P2A-GLU | data/2P/2P2A-GLU/2P2A-GLU_ligand.pdbqt | data/2P/2P2A-GLU/2P2A-GLU_target.pdbqt | data/2P/2P2A-GLU/2P2A-GLU_decoys.pdbqt | data/2P/2P2A-GLU/2P2A-GLU_decoy_scores.csv |
2PRZ-OMP | data/2P/2PRZ-OMP/2PRZ-OMP_ligand.pdbqt | data/2P/2PRZ-OMP/2PRZ-OMP_target.pdbqt | data/2P/2PRZ-OMP/2PRZ-OMP_decoys.pdbqt | data/2P/2PRZ-OMP/2PRZ-OMP_decoy_scores.csv |
2PRH-DDQ | data/2P/2PRH-DDQ/2PRH-DDQ_ligand.pdbqt | data/2P/2PRH-DDQ/2PRH-DDQ_target.pdbqt | data/2P/2PRH-DDQ/2PRH-DDQ_decoys.pdbqt | data/2P/2PRH-DDQ/2PRH-DDQ_decoy_scores.csv |
2PR6-FMN | data/2P/2PR6-FMN/2PR6-FMN_ligand.pdbqt | data/2P/2PR6-FMN/2PR6-FMN_target.pdbqt | data/2P/2PR6-FMN/2PR6-FMN_decoys.pdbqt | data/2P/2PR6-FMN/2PR6-FMN_decoy_scores.csv |
2PP1-LLH | data/2P/2PP1-LLH/2PP1-LLH_ligand.pdbqt | data/2P/2PP1-LLH/2PP1-LLH_target.pdbqt | data/2P/2PP1-LLH/2PP1-LLH_decoys.pdbqt | data/2P/2PP1-LLH/2PP1-LLH_decoy_scores.csv |
2PRC-NS5 | data/2P/2PRC-NS5/2PRC-NS5_ligand.pdbqt | data/2P/2PRC-NS5/2PRC-NS5_target.pdbqt | data/2P/2PRC-NS5/2PRC-NS5_decoys.pdbqt | data/2P/2PRC-NS5/2PRC-NS5_decoy_scores.csv |
2PP3-LGT | data/2P/2PP3-LGT/2PP3-LGT_ligand.pdbqt | data/2P/2PP3-LGT/2PP3-LGT_target.pdbqt | data/2P/2PP3-LGT/2PP3-LGT_decoys.pdbqt | data/2P/2PP3-LGT/2PP3-LGT_decoy_scores.csv |
2PA4-UPG | data/2P/2PA4-UPG/2PA4-UPG_ligand.pdbqt | data/2P/2PA4-UPG/2PA4-UPG_target.pdbqt | data/2P/2PA4-UPG/2PA4-UPG_decoys.pdbqt | data/2P/2PA4-UPG/2PA4-UPG_decoy_scores.csv |
2PH5-NAD | data/2P/2PH5-NAD/2PH5-NAD_ligand.pdbqt | data/2P/2PH5-NAD/2PH5-NAD_target.pdbqt | data/2P/2PH5-NAD/2PH5-NAD_decoys.pdbqt | data/2P/2PH5-NAD/2PH5-NAD_decoy_scores.csv |
2P15-EZT | data/2P/2P15-EZT/2P15-EZT_ligand.pdbqt | data/2P/2P15-EZT/2P15-EZT_target.pdbqt | data/2P/2P15-EZT/2P15-EZT_decoys.pdbqt | data/2P/2P15-EZT/2P15-EZT_decoy_scores.csv |
2PJ4-414 | data/2P/2PJ4-414/2PJ4-414_ligand.pdbqt | data/2P/2PJ4-414/2PJ4-414_target.pdbqt | data/2P/2PJ4-414/2PJ4-414_decoys.pdbqt | data/2P/2PJ4-414/2PJ4-414_decoy_scores.csv |
2PLW-SAM | data/2P/2PLW-SAM/2PLW-SAM_ligand.pdbqt | data/2P/2PLW-SAM/2PLW-SAM_target.pdbqt | data/2P/2PLW-SAM/2PLW-SAM_decoys.pdbqt | data/2P/2PLW-SAM/2PLW-SAM_decoy_scores.csv |
2PR3-237 | data/2P/2PR3-237/2PR3-237_ligand.pdbqt | data/2P/2PR3-237/2PR3-237_target.pdbqt | data/2P/2PR3-237/2PR3-237_decoys.pdbqt | data/2P/2PR3-237/2PR3-237_decoy_scores.csv |
2PS1-ORO | data/2P/2PS1-ORO/2PS1-ORO_ligand.pdbqt | data/2P/2PS1-ORO/2PS1-ORO_target.pdbqt | data/2P/2PS1-ORO/2PS1-ORO_decoys.pdbqt | data/2P/2PS1-ORO/2PS1-ORO_decoy_scores.csv |
2P7T-1EM | data/2P/2P7T-1EM/2P7T-1EM_ligand.pdbqt | data/2P/2P7T-1EM/2P7T-1EM_target.pdbqt | data/2P/2P7T-1EM/2P7T-1EM_decoys.pdbqt | data/2P/2P7T-1EM/2P7T-1EM_decoy_scores.csv |
2P9H-IPT | data/2P/2P9H-IPT/2P9H-IPT_ligand.pdbqt | data/2P/2P9H-IPT/2P9H-IPT_target.pdbqt | data/2P/2P9H-IPT/2P9H-IPT_decoys.pdbqt | data/2P/2P9H-IPT/2P9H-IPT_decoy_scores.csv |
2PZI-AXX | data/2P/2PZI-AXX/2PZI-AXX_ligand.pdbqt | data/2P/2PZI-AXX/2PZI-AXX_target.pdbqt | data/2P/2PZI-AXX/2PZI-AXX_decoys.pdbqt | data/2P/2PZI-AXX/2PZI-AXX_decoy_scores.csv |
2PHN-GDP | data/2P/2PHN-GDP/2PHN-GDP_ligand.pdbqt | data/2P/2PHN-GDP/2PHN-GDP_target.pdbqt | data/2P/2PHN-GDP/2PHN-GDP_decoys.pdbqt | data/2P/2PHN-GDP/2PHN-GDP_decoy_scores.csv |
2P3I-MNA | data/2P/2P3I-MNA/2P3I-MNA_ligand.pdbqt | data/2P/2P3I-MNA/2P3I-MNA_target.pdbqt | data/2P/2P3I-MNA/2P3I-MNA_decoys.pdbqt | data/2P/2P3I-MNA/2P3I-MNA_decoy_scores.csv |
2PZM-NAD | data/2P/2PZM-NAD/2PZM-NAD_ligand.pdbqt | data/2P/2PZM-NAD/2PZM-NAD_target.pdbqt | data/2P/2PZM-NAD/2PZM-NAD_decoys.pdbqt | data/2P/2PZM-NAD/2PZM-NAD_decoy_scores.csv |
2PWF-BGC | data/2P/2PWF-BGC/2PWF-BGC_ligand.pdbqt | data/2P/2PWF-BGC/2PWF-BGC_target.pdbqt | data/2P/2PWF-BGC/2PWF-BGC_decoys.pdbqt | data/2P/2PWF-BGC/2PWF-BGC_decoy_scores.csv |
2P09-ATP | data/2P/2P09-ATP/2P09-ATP_ligand.pdbqt | data/2P/2P09-ATP/2P09-ATP_target.pdbqt | data/2P/2P09-ATP/2P09-ATP_decoys.pdbqt | data/2P/2P09-ATP/2P09-ATP_decoy_scores.csv |
2PN6-GLN | data/2P/2PN6-GLN/2PN6-GLN_ligand.pdbqt | data/2P/2PN6-GLN/2PN6-GLN_target.pdbqt | data/2P/2PN6-GLN/2PN6-GLN_decoys.pdbqt | data/2P/2PN6-GLN/2PN6-GLN_decoy_scores.csv |
2PIA-FMN | data/2P/2PIA-FMN/2PIA-FMN_ligand.pdbqt | data/2P/2PIA-FMN/2PIA-FMN_target.pdbqt | data/2P/2PIA-FMN/2PIA-FMN_decoys.pdbqt | data/2P/2PIA-FMN/2PIA-FMN_decoy_scores.csv |
2PC8-BGC | data/2P/2PC8-BGC/2PC8-BGC_ligand.pdbqt | data/2P/2PC8-BGC/2PC8-BGC_target.pdbqt | data/2P/2PC8-BGC/2PC8-BGC_decoys.pdbqt | data/2P/2PC8-BGC/2PC8-BGC_decoy_scores.csv |
2P1N-CFA | data/2P/2P1N-CFA/2P1N-CFA_ligand.pdbqt | data/2P/2P1N-CFA/2P1N-CFA_target.pdbqt | data/2P/2P1N-CFA/2P1N-CFA_decoys.pdbqt | data/2P/2P1N-CFA/2P1N-CFA_decoy_scores.csv |
2PT9-S4M | data/2P/2PT9-S4M/2PT9-S4M_ligand.pdbqt | data/2P/2PT9-S4M/2PT9-S4M_target.pdbqt | data/2P/2PT9-S4M/2PT9-S4M_decoys.pdbqt | data/2P/2PT9-S4M/2PT9-S4M_decoy_scores.csv |
2P9I-ADP | data/2P/2P9I-ADP/2P9I-ADP_ligand.pdbqt | data/2P/2P9I-ADP/2P9I-ADP_target.pdbqt | data/2P/2P9I-ADP/2P9I-ADP_decoys.pdbqt | data/2P/2P9I-ADP/2P9I-ADP_decoy_scores.csv |
2PIT-4HY | data/2P/2PIT-4HY/2PIT-4HY_ligand.pdbqt | data/2P/2PIT-4HY/2PIT-4HY_target.pdbqt | data/2P/2PIT-4HY/2PIT-4HY_decoys.pdbqt | data/2P/2PIT-4HY/2PIT-4HY_decoy_scores.csv |
2PLJ-P3T | data/2P/2PLJ-P3T/2PLJ-P3T_ligand.pdbqt | data/2P/2PLJ-P3T/2PLJ-P3T_target.pdbqt | data/2P/2PLJ-P3T/2PLJ-P3T_decoys.pdbqt | data/2P/2PLJ-P3T/2PLJ-P3T_decoy_scores.csv |
2P72-UPG | data/2P/2P72-UPG/2P72-UPG_ligand.pdbqt | data/2P/2P72-UPG/2P72-UPG_target.pdbqt | data/2P/2P72-UPG/2P72-UPG_decoys.pdbqt | data/2P/2P72-UPG/2P72-UPG_decoy_scores.csv |
2PUT-F6R | data/2P/2PUT-F6R/2PUT-F6R_ligand.pdbqt | data/2P/2PUT-F6R/2PUT-F6R_target.pdbqt | data/2P/2PUT-F6R/2PUT-F6R_decoys.pdbqt | data/2P/2PUT-F6R/2PUT-F6R_decoy_scores.csv |
2PRI-D6G | data/2P/2PRI-D6G/2PRI-D6G_ligand.pdbqt | data/2P/2PRI-D6G/2PRI-D6G_target.pdbqt | data/2P/2PRI-D6G/2PRI-D6G_decoys.pdbqt | data/2P/2PRI-D6G/2PRI-D6G_decoy_scores.csv |
2PUQ-BGC | data/2P/2PUQ-BGC/2PUQ-BGC_ligand.pdbqt | data/2P/2PUQ-BGC/2PUQ-BGC_target.pdbqt | data/2P/2PUQ-BGC/2PUQ-BGC_decoys.pdbqt | data/2P/2PUQ-BGC/2PUQ-BGC_decoy_scores.csv |
2PCM-SAH | data/2P/2PCM-SAH/2PCM-SAH_ligand.pdbqt | data/2P/2PCM-SAH/2PCM-SAH_target.pdbqt | data/2P/2PCM-SAH/2PCM-SAH_decoys.pdbqt | data/2P/2PCM-SAH/2PCM-SAH_decoy_scores.csv |
2P73-UDP | data/2P/2P73-UDP/2P73-UDP_ligand.pdbqt | data/2P/2P73-UDP/2P73-UDP_target.pdbqt | data/2P/2P73-UDP/2P73-UDP_decoys.pdbqt | data/2P/2P73-UDP/2P73-UDP_decoy_scores.csv |
2PGL-N1C | data/2P/2PGL-N1C/2PGL-N1C_ligand.pdbqt | data/2P/2PGL-N1C/2PGL-N1C_target.pdbqt | data/2P/2PGL-N1C/2PGL-N1C_decoys.pdbqt | data/2P/2PGL-N1C/2PGL-N1C_decoy_scores.csv |
2PXH-BP5 | data/2P/2PXH-BP5/2PXH-BP5_ligand.pdbqt | data/2P/2PXH-BP5/2PXH-BP5_target.pdbqt | data/2P/2PXH-BP5/2PXH-BP5_decoys.pdbqt | data/2P/2PXH-BP5/2PXH-BP5_decoy_scores.csv |
2PRH-ORO | data/2P/2PRH-ORO/2PRH-ORO_ligand.pdbqt | data/2P/2PRH-ORO/2PRH-ORO_target.pdbqt | data/2P/2PRH-ORO/2PRH-ORO_decoys.pdbqt | data/2P/2PRH-ORO/2PRH-ORO_decoy_scores.csv |
2PX8-SAH | data/2P/2PX8-SAH/2PX8-SAH_ligand.pdbqt | data/2P/2PX8-SAH/2PX8-SAH_target.pdbqt | data/2P/2PX8-SAH/2PX8-SAH_decoys.pdbqt | data/2P/2PX8-SAH/2PX8-SAH_decoy_scores.csv |
2PZ5-ACP | data/2P/2PZ5-ACP/2PZ5-ACP_ligand.pdbqt | data/2P/2PZ5-ACP/2PZ5-ACP_target.pdbqt | data/2P/2PZ5-ACP/2PZ5-ACP_decoys.pdbqt | data/2P/2PZ5-ACP/2PZ5-ACP_decoy_scores.csv |
2P9D-SAH | data/2P/2P9D-SAH/2P9D-SAH_ligand.pdbqt | data/2P/2P9D-SAH/2P9D-SAH_target.pdbqt | data/2P/2P9D-SAH/2P9D-SAH_decoys.pdbqt | data/2P/2P9D-SAH/2P9D-SAH_decoy_scores.csv |
2PIP-ICO | data/2P/2PIP-ICO/2PIP-ICO_ligand.pdbqt | data/2P/2PIP-ICO/2PIP-ICO_target.pdbqt | data/2P/2PIP-ICO/2PIP-ICO_decoys.pdbqt | data/2P/2PIP-ICO/2PIP-ICO_decoy_scores.csv |
2P3U-663 | data/2P/2P3U-663/2P3U-663_ligand.pdbqt | data/2P/2P3U-663/2P3U-663_target.pdbqt | data/2P/2P3U-663/2P3U-663_decoys.pdbqt | data/2P/2P3U-663/2P3U-663_decoy_scores.csv |
2PMH-GLN | data/2P/2PMH-GLN/2PMH-GLN_ligand.pdbqt | data/2P/2PMH-GLN/2PMH-GLN_target.pdbqt | data/2P/2PMH-GLN/2PMH-GLN_decoys.pdbqt | data/2P/2PMH-GLN/2PMH-GLN_decoy_scores.csv |
2PRJ-IMP | data/2P/2PRJ-IMP/2PRJ-IMP_ligand.pdbqt | data/2P/2PRJ-IMP/2PRJ-IMP_target.pdbqt | data/2P/2PRJ-IMP/2PRJ-IMP_decoys.pdbqt | data/2P/2PRJ-IMP/2PRJ-IMP_decoy_scores.csv |
2PSU-MUU | data/2P/2PSU-MUU/2PSU-MUU_ligand.pdbqt | data/2P/2PSU-MUU/2PSU-MUU_target.pdbqt | data/2P/2PSU-MUU/2PSU-MUU_decoys.pdbqt | data/2P/2PSU-MUU/2PSU-MUU_decoy_scores.csv |
2PDY-FID | data/2P/2PDY-FID/2PDY-FID_ligand.pdbqt | data/2P/2PDY-FID/2PDY-FID_target.pdbqt | data/2P/2PDY-FID/2PDY-FID_decoys.pdbqt | data/2P/2PDY-FID/2PDY-FID_decoy_scores.csv |
2PVU-LYS | data/2P/2PVU-LYS/2PVU-LYS_ligand.pdbqt | data/2P/2PVU-LYS/2PVU-LYS_target.pdbqt | data/2P/2PVU-LYS/2PVU-LYS_decoys.pdbqt | data/2P/2PVU-LYS/2PVU-LYS_decoy_scores.csv |
2PG2-K01 | data/2P/2PG2-K01/2PG2-K01_ligand.pdbqt | data/2P/2PG2-K01/2PG2-K01_target.pdbqt | data/2P/2PG2-K01/2PG2-K01_decoys.pdbqt | data/2P/2PG2-K01/2PG2-K01_decoy_scores.csv |
2P94-ME4 | data/2P/2P94-ME4/2P94-ME4_ligand.pdbqt | data/2P/2P94-ME4/2P94-ME4_target.pdbqt | data/2P/2P94-ME4/2P94-ME4_decoys.pdbqt | data/2P/2P94-ME4/2P94-ME4_decoy_scores.csv |
2PYI-DL8 | data/2P/2PYI-DL8/2PYI-DL8_ligand.pdbqt | data/2P/2PYI-DL8/2PYI-DL8_target.pdbqt | data/2P/2PYI-DL8/2PYI-DL8_decoys.pdbqt | data/2P/2PYI-DL8/2PYI-DL8_decoy_scores.csv |
8AQL-PLG | data/8A/8AQL-PLG/8AQL-PLG_ligand.pdbqt | data/8A/8AQL-PLG/8AQL-PLG_target.pdbqt | data/8A/8AQL-PLG/8AQL-PLG_decoys.pdbqt | data/8A/8AQL-PLG/8AQL-PLG_decoy_scores.csv |
8AYW-OG3 | data/8A/8AYW-OG3/8AYW-OG3_ligand.pdbqt | data/8A/8AYW-OG3/8AYW-OG3_target.pdbqt | data/8A/8AYW-OG3/8AYW-OG3_decoys.pdbqt | data/8A/8AYW-OG3/8AYW-OG3_decoy_scores.csv |
8A66-5BS | data/8A/8A66-5BS/8A66-5BS_ligand.pdbqt | data/8A/8A66-5BS/8A66-5BS_target.pdbqt | data/8A/8A66-5BS/8A66-5BS_decoys.pdbqt | data/8A/8A66-5BS/8A66-5BS_decoy_scores.csv |
8AAZ-ATP | data/8A/8AAZ-ATP/8AAZ-ATP_ligand.pdbqt | data/8A/8AAZ-ATP/8AAZ-ATP_target.pdbqt | data/8A/8AAZ-ATP/8AAZ-ATP_decoys.pdbqt | data/8A/8AAZ-ATP/8AAZ-ATP_decoy_scores.csv |
8AN8-N0U | data/8A/8AN8-N0U/8AN8-N0U_ligand.pdbqt | data/8A/8AN8-N0U/8AN8-N0U_target.pdbqt | data/8A/8AN8-N0U/8AN8-N0U_decoys.pdbqt | data/8A/8AN8-N0U/8AN8-N0U_decoy_scores.csv |
8A2S-ADP | data/8A/8A2S-ADP/8A2S-ADP_ligand.pdbqt | data/8A/8A2S-ADP/8A2S-ADP_target.pdbqt | data/8A/8A2S-ADP/8A2S-ADP_decoys.pdbqt | data/8A/8A2S-ADP/8A2S-ADP_decoy_scores.csv |
8AFD-2XO | data/8A/8AFD-2XO/8AFD-2XO_ligand.pdbqt | data/8A/8AFD-2XO/8AFD-2XO_target.pdbqt | data/8A/8AFD-2XO/8AFD-2XO_decoys.pdbqt | data/8A/8AFD-2XO/8AFD-2XO_decoy_scores.csv |
8AIE-M7L | data/8A/8AIE-M7L/8AIE-M7L_ligand.pdbqt | data/8A/8AIE-M7L/8AIE-M7L_target.pdbqt | data/8A/8AIE-M7L/8AIE-M7L_decoys.pdbqt | data/8A/8AIE-M7L/8AIE-M7L_decoy_scores.csv |
8AUG-FMN | data/8A/8AUG-FMN/8AUG-FMN_ligand.pdbqt | data/8A/8AUG-FMN/8AUG-FMN_target.pdbqt | data/8A/8AUG-FMN/8AUG-FMN_decoys.pdbqt | data/8A/8AUG-FMN/8AUG-FMN_decoy_scores.csv |
8ABG-XP4 | data/8A/8ABG-XP4/8ABG-XP4_ligand.pdbqt | data/8A/8ABG-XP4/8ABG-XP4_target.pdbqt | data/8A/8ABG-XP4/8ABG-XP4_decoys.pdbqt | data/8A/8ABG-XP4/8ABG-XP4_decoy_scores.csv |
8AQ7-NZX | data/8A/8AQ7-NZX/8AQ7-NZX_ligand.pdbqt | data/8A/8AQ7-NZX/8AQ7-NZX_target.pdbqt | data/8A/8AQ7-NZX/8AQ7-NZX_decoys.pdbqt | data/8A/8AQ7-NZX/8AQ7-NZX_decoy_scores.csv |
8AQJ-N9O | data/8A/8AQJ-N9O/8AQJ-N9O_ligand.pdbqt | data/8A/8AQJ-N9O/8AQJ-N9O_target.pdbqt | data/8A/8AQJ-N9O/8AQJ-N9O_decoys.pdbqt | data/8A/8AQJ-N9O/8AQJ-N9O_decoy_scores.csv |
8A2A-KY9 | data/8A/8A2A-KY9/8A2A-KY9_ligand.pdbqt | data/8A/8A2A-KY9/8A2A-KY9_target.pdbqt | data/8A/8A2A-KY9/8A2A-KY9_decoys.pdbqt | data/8A/8A2A-KY9/8A2A-KY9_decoy_scores.csv |
8AUJ-FMN | data/8A/8AUJ-FMN/8AUJ-FMN_ligand.pdbqt | data/8A/8AUJ-FMN/8AUJ-FMN_target.pdbqt | data/8A/8AUJ-FMN/8AUJ-FMN_decoys.pdbqt | data/8A/8AUJ-FMN/8AUJ-FMN_decoy_scores.csv |
8ABE-XP4 | data/8A/8ABE-XP4/8ABE-XP4_ligand.pdbqt | data/8A/8ABE-XP4/8ABE-XP4_target.pdbqt | data/8A/8ABE-XP4/8ABE-XP4_decoys.pdbqt | data/8A/8ABE-XP4/8ABE-XP4_decoy_scores.csv |
8A1H-DLZ | data/8A/8A1H-DLZ/8A1H-DLZ_ligand.pdbqt | data/8A/8A1H-DLZ/8A1H-DLZ_target.pdbqt | data/8A/8A1H-DLZ/8A1H-DLZ_decoys.pdbqt | data/8A/8A1H-DLZ/8A1H-DLZ_decoy_scores.csv |
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