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 ⌀ |
|---|---|---|---|---|
5RVE-W8A | data/5R/5RVE-W8A/5RVE-W8A_ligand.pdbqt | data/5R/5RVE-W8A/5RVE-W8A_target.pdbqt | data/5R/5RVE-W8A/5RVE-W8A_decoys.pdbqt | data/5R/5RVE-W8A/5RVE-W8A_decoy_scores.csv |
5RZF-9KS | data/5R/5RZF-9KS/5RZF-9KS_ligand.pdbqt | data/5R/5RZF-9KS/5RZF-9KS_target.pdbqt | data/5R/5RZF-9KS/5RZF-9KS_decoys.pdbqt | data/5R/5RZF-9KS/5RZF-9KS_decoy_scores.csv |
5R9M-A7K | data/5R/5R9M-A7K/5R9M-A7K_ligand.pdbqt | data/5R/5R9M-A7K/5R9M-A7K_target.pdbqt | data/5R/5R9M-A7K/5R9M-A7K_decoys.pdbqt | data/5R/5R9M-A7K/5R9M-A7K_decoy_scores.csv |
5RSU-OHB | data/5R/5RSU-OHB/5RSU-OHB_ligand.pdbqt | data/5R/5RSU-OHB/5RSU-OHB_target.pdbqt | data/5R/5RSU-OHB/5RSU-OHB_decoys.pdbqt | data/5R/5RSU-OHB/5RSU-OHB_decoy_scores.csv |
5RHV-UR4 | data/5R/5RHV-UR4/5RHV-UR4_ligand.pdbqt | data/5R/5RHV-UR4/5RHV-UR4_target.pdbqt | data/5R/5RHV-UR4/5RHV-UR4_decoys.pdbqt | data/5R/5RHV-UR4/5RHV-UR4_decoy_scores.csv |
5RES-T3V | data/5R/5RES-T3V/5RES-T3V_ligand.pdbqt | data/5R/5RES-T3V/5RES-T3V_target.pdbqt | data/5R/5RES-T3V/5RES-T3V_decoys.pdbqt | data/5R/5RES-T3V/5RES-T3V_decoy_scores.csv |
5R68-RYD | data/5R/5R68-RYD/5R68-RYD_ligand.pdbqt | data/5R/5R68-RYD/5R68-RYD_target.pdbqt | data/5R/5R68-RYD/5R68-RYD_decoys.pdbqt | data/5R/5R68-RYD/5R68-RYD_decoy_scores.csv |
5R4P-RVY | data/5R/5R4P-RVY/5R4P-RVY_ligand.pdbqt | data/5R/5R4P-RVY/5R4P-RVY_target.pdbqt | data/5R/5R4P-RVY/5R4P-RVY_decoys.pdbqt | data/5R/5R4P-RVY/5R4P-RVY_decoy_scores.csv |
5RYV-WGS | data/5R/5RYV-WGS/5RYV-WGS_ligand.pdbqt | data/5R/5RYV-WGS/5RYV-WGS_target.pdbqt | data/5R/5RYV-WGS/5RYV-WGS_decoys.pdbqt | data/5R/5RYV-WGS/5RYV-WGS_decoy_scores.csv |
5RKT-UXD | data/5R/5RKT-UXD/5RKT-UXD_ligand.pdbqt | data/5R/5RKT-UXD/5RKT-UXD_target.pdbqt | data/5R/5RKT-UXD/5RKT-UXD_decoys.pdbqt | data/5R/5RKT-UXD/5RKT-UXD_decoy_scores.csv |
5RW6-WLS | data/5R/5RW6-WLS/5RW6-WLS_ligand.pdbqt | data/5R/5RW6-WLS/5RW6-WLS_target.pdbqt | data/5R/5RW6-WLS/5RW6-WLS_decoys.pdbqt | data/5R/5RW6-WLS/5RW6-WLS_decoy_scores.csv |
5R9E-S7S | data/5R/5R9E-S7S/5R9E-S7S_ligand.pdbqt | data/5R/5R9E-S7S/5R9E-S7S_target.pdbqt | data/5R/5R9E-S7S/5R9E-S7S_decoys.pdbqt | data/5R/5R9E-S7S/5R9E-S7S_decoy_scores.csv |
5RTX-6OT | data/5R/5RTX-6OT/5RTX-6OT_ligand.pdbqt | data/5R/5RTX-6OT/5RTX-6OT_target.pdbqt | data/5R/5RTX-6OT/5RTX-6OT_decoys.pdbqt | data/5R/5RTX-6OT/5RTX-6OT_decoy_scores.csv |
5RKS-UXG | data/5R/5RKS-UXG/5RKS-UXG_ligand.pdbqt | data/5R/5RKS-UXG/5RKS-UXG_target.pdbqt | data/5R/5RKS-UXG/5RKS-UXG_decoys.pdbqt | data/5R/5RKS-UXG/5RKS-UXG_decoy_scores.csv |
5RL1-VEJ | data/5R/5RL1-VEJ/5RL1-VEJ_ligand.pdbqt | data/5R/5RL1-VEJ/5RL1-VEJ_target.pdbqt | data/5R/5RL1-VEJ/5RL1-VEJ_decoys.pdbqt | data/5R/5RL1-VEJ/5RL1-VEJ_decoy_scores.csv |
5RVF-W8D | data/5R/5RVF-W8D/5RVF-W8D_ligand.pdbqt | data/5R/5RVF-W8D/5RVF-W8D_target.pdbqt | data/5R/5RVF-W8D/5RVF-W8D_decoys.pdbqt | data/5R/5RVF-W8D/5RVF-W8D_decoy_scores.csv |
5RJS-UUP | data/5R/5RJS-UUP/5RJS-UUP_ligand.pdbqt | data/5R/5RJS-UUP/5RJS-UUP_target.pdbqt | data/5R/5RJS-UUP/5RJS-UUP_decoys.pdbqt | data/5R/5RJS-UUP/5RJS-UUP_decoy_scores.csv |
5RYU-UWV | data/5R/5RYU-UWV/5RYU-UWV_ligand.pdbqt | data/5R/5RYU-UWV/5RYU-UWV_target.pdbqt | data/5R/5RYU-UWV/5RYU-UWV_decoys.pdbqt | data/5R/5RYU-UWV/5RYU-UWV_decoy_scores.csv |
5R9G-RGY | data/5R/5R9G-RGY/5R9G-RGY_ligand.pdbqt | data/5R/5R9G-RGY/5R9G-RGY_target.pdbqt | data/5R/5R9G-RGY/5R9G-RGY_decoys.pdbqt | data/5R/5R9G-RGY/5R9G-RGY_decoy_scores.csv |
5RKM-O0V | data/5R/5RKM-O0V/5RKM-O0V_ligand.pdbqt | data/5R/5RKM-O0V/5RKM-O0V_target.pdbqt | data/5R/5RKM-O0V/5RKM-O0V_decoys.pdbqt | data/5R/5RKM-O0V/5RKM-O0V_decoy_scores.csv |
5RER-T3J | data/5R/5RER-T3J/5RER-T3J_ligand.pdbqt | data/5R/5RER-T3J/5RER-T3J_target.pdbqt | data/5R/5RER-T3J/5RER-T3J_decoys.pdbqt | data/5R/5RER-T3J/5RER-T3J_decoy_scores.csv |
5RL2-VEM | data/5R/5RL2-VEM/5RL2-VEM_ligand.pdbqt | data/5R/5RL2-VEM/5RL2-VEM_target.pdbqt | data/5R/5RL2-VEM/5RL2-VEM_decoys.pdbqt | data/5R/5RL2-VEM/5RL2-VEM_decoy_scores.csv |
5RV2-W7S | data/5R/5RV2-W7S/5RV2-W7S_ligand.pdbqt | data/5R/5RV2-W7S/5RV2-W7S_target.pdbqt | data/5R/5RV2-W7S/5RV2-W7S_decoys.pdbqt | data/5R/5RV2-W7S/5RV2-W7S_decoy_scores.csv |
5RVA-HQD | data/5R/5RVA-HQD/5RVA-HQD_ligand.pdbqt | data/5R/5RVA-HQD/5RVA-HQD_target.pdbqt | data/5R/5RVA-HQD/5RVA-HQD_decoys.pdbqt | data/5R/5RVA-HQD/5RVA-HQD_decoy_scores.csv |
5RGR-K1G | data/5R/5RGR-K1G/5RGR-K1G_ligand.pdbqt | data/5R/5RGR-K1G/5RGR-K1G_target.pdbqt | data/5R/5RGR-K1G/5RGR-K1G_decoys.pdbqt | data/5R/5RGR-K1G/5RGR-K1G_decoy_scores.csv |
5R8B-K34 | data/5R/5R8B-K34/5R8B-K34_ligand.pdbqt | data/5R/5R8B-K34/5R8B-K34_target.pdbqt | data/5R/5R8B-K34/5R8B-K34_decoys.pdbqt | data/5R/5R8B-K34/5R8B-K34_decoy_scores.csv |
5RF1-T5G | data/5R/5RF1-T5G/5RF1-T5G_ligand.pdbqt | data/5R/5RF1-T5G/5RF1-T5G_target.pdbqt | data/5R/5RF1-T5G/5RF1-T5G_decoys.pdbqt | data/5R/5RF1-T5G/5RF1-T5G_decoy_scores.csv |
5RZK-WHV | data/5R/5RZK-WHV/5RZK-WHV_ligand.pdbqt | data/5R/5RZK-WHV/5RZK-WHV_target.pdbqt | data/5R/5RZK-WHV/5RZK-WHV_decoys.pdbqt | data/5R/5RZK-WHV/5RZK-WHV_decoy_scores.csv |
5RKJ-UWY | data/5R/5RKJ-UWY/5RKJ-UWY_ligand.pdbqt | data/5R/5RKJ-UWY/5RKJ-UWY_target.pdbqt | data/5R/5RKJ-UWY/5RKJ-UWY_decoys.pdbqt | data/5R/5RKJ-UWY/5RKJ-UWY_decoy_scores.csv |
5R9I-SQY | data/5R/5R9I-SQY/5R9I-SQY_ligand.pdbqt | data/5R/5R9I-SQY/5R9I-SQY_target.pdbqt | data/5R/5R9I-SQY/5R9I-SQY_decoys.pdbqt | data/5R/5R9I-SQY/5R9I-SQY_decoy_scores.csv |
5RAG-O3G | data/5R/5RAG-O3G/5RAG-O3G_ligand.pdbqt | data/5R/5RAG-O3G/5RAG-O3G_target.pdbqt | data/5R/5RAG-O3G/5RAG-O3G_decoys.pdbqt | data/5R/5RAG-O3G/5RAG-O3G_decoy_scores.csv |
5R8O-S8P | data/5R/5R8O-S8P/5R8O-S8P_ligand.pdbqt | data/5R/5R8O-S8P/5R8O-S8P_target.pdbqt | data/5R/5R8O-S8P/5R8O-S8P_decoys.pdbqt | data/5R/5R8O-S8P/5R8O-S8P_decoy_scores.csv |
5RKA-T6J | data/5R/5RKA-T6J/5RKA-T6J_ligand.pdbqt | data/5R/5RKA-T6J/5RKA-T6J_target.pdbqt | data/5R/5RKA-T6J/5RKA-T6J_decoys.pdbqt | data/5R/5RKA-T6J/5RKA-T6J_decoy_scores.csv |
5RW0-WGD | data/5R/5RW0-WGD/5RW0-WGD_ligand.pdbqt | data/5R/5RW0-WGD/5RW0-WGD_target.pdbqt | data/5R/5RW0-WGD/5RW0-WGD_decoys.pdbqt | data/5R/5RW0-WGD/5RW0-WGD_decoy_scores.csv |
5REC-T1J | data/5R/5REC-T1J/5REC-T1J_ligand.pdbqt | data/5R/5REC-T1J/5REC-T1J_target.pdbqt | data/5R/5REC-T1J/5REC-T1J_decoys.pdbqt | data/5R/5REC-T1J/5REC-T1J_decoy_scores.csv |
5RAZ-K0G | data/5R/5RAZ-K0G/5RAZ-K0G_ligand.pdbqt | data/5R/5RAZ-K0G/5RAZ-K0G_target.pdbqt | data/5R/5RAZ-K0G/5RAZ-K0G_decoys.pdbqt | data/5R/5RAZ-K0G/5RAZ-K0G_decoy_scores.csv |
5R88-LWA | data/5R/5R88-LWA/5R88-LWA_ligand.pdbqt | data/5R/5R88-LWA/5R88-LWA_target.pdbqt | data/5R/5R88-LWA/5R88-LWA_decoys.pdbqt | data/5R/5R88-LWA/5R88-LWA_decoy_scores.csv |
5RTZ-FHB | data/5R/5RTZ-FHB/5RTZ-FHB_ligand.pdbqt | data/5R/5RTZ-FHB/5RTZ-FHB_target.pdbqt | data/5R/5RTZ-FHB/5RTZ-FHB_decoys.pdbqt | data/5R/5RTZ-FHB/5RTZ-FHB_decoy_scores.csv |
5RL0-VEG | data/5R/5RL0-VEG/5RL0-VEG_ligand.pdbqt | data/5R/5RL0-VEG/5RL0-VEG_target.pdbqt | data/5R/5RL0-VEG/5RL0-VEG_decoys.pdbqt | data/5R/5RL0-VEG/5RL0-VEG_decoy_scores.csv |
5R57-S0P | data/5R/5R57-S0P/5R57-S0P_ligand.pdbqt | data/5R/5R57-S0P/5R57-S0P_target.pdbqt | data/5R/5R57-S0P/5R57-S0P_decoys.pdbqt | data/5R/5R57-S0P/5R57-S0P_decoy_scores.csv |
5RZ4-WH7 | data/5R/5RZ4-WH7/5RZ4-WH7_ligand.pdbqt | data/5R/5RZ4-WH7/5RZ4-WH7_target.pdbqt | data/5R/5RZ4-WH7/5RZ4-WH7_decoys.pdbqt | data/5R/5RZ4-WH7/5RZ4-WH7_decoy_scores.csv |
5R50-RY4 | data/5R/5R50-RY4/5R50-RY4_ligand.pdbqt | data/5R/5R50-RY4/5R50-RY4_target.pdbqt | data/5R/5R50-RY4/5R50-RY4_decoys.pdbqt | data/5R/5R50-RY4/5R50-RY4_decoy_scores.csv |
5RG1-T9J | data/5R/5RG1-T9J/5RG1-T9J_ligand.pdbqt | data/5R/5RG1-T9J/5RG1-T9J_target.pdbqt | data/5R/5RG1-T9J/5RG1-T9J_decoys.pdbqt | data/5R/5RG1-T9J/5RG1-T9J_decoy_scores.csv |
5RGD-6NT | data/5R/5RGD-6NT/5RGD-6NT_ligand.pdbqt | data/5R/5RGD-6NT/5RGD-6NT_target.pdbqt | data/5R/5RGD-6NT/5RGD-6NT_decoys.pdbqt | data/5R/5RGD-6NT/5RGD-6NT_decoy_scores.csv |
5R63-RXS | data/5R/5R63-RXS/5R63-RXS_ligand.pdbqt | data/5R/5R63-RXS/5R63-RXS_target.pdbqt | data/5R/5R63-RXS/5R63-RXS_decoys.pdbqt | data/5R/5R63-RXS/5R63-RXS_decoy_scores.csv |
3B6R-ADP | data/3B/3B6R-ADP/3B6R-ADP_ligand.pdbqt | data/3B/3B6R-ADP/3B6R-ADP_target.pdbqt | data/3B/3B6R-ADP/3B6R-ADP_decoys.pdbqt | data/3B/3B6R-ADP/3B6R-ADP_decoy_scores.csv |
3BV4-13P | data/3B/3BV4-13P/3BV4-13P_ligand.pdbqt | data/3B/3BV4-13P/3BV4-13P_target.pdbqt | data/3B/3BV4-13P/3BV4-13P_decoys.pdbqt | data/3B/3BV4-13P/3BV4-13P_decoy_scores.csv |
3BNK-FMN | data/3B/3BNK-FMN/3BNK-FMN_ligand.pdbqt | data/3B/3BNK-FMN/3BNK-FMN_target.pdbqt | data/3B/3BNK-FMN/3BNK-FMN_decoys.pdbqt | data/3B/3BNK-FMN/3BNK-FMN_decoy_scores.csv |
3BDQ-PLM | data/3B/3BDQ-PLM/3BDQ-PLM_ligand.pdbqt | data/3B/3BDQ-PLM/3BDQ-PLM_target.pdbqt | data/3B/3BDQ-PLM/3BDQ-PLM_decoys.pdbqt | data/3B/3BDQ-PLM/3BDQ-PLM_decoy_scores.csv |
3B06-DMA | data/3B/3B06-DMA/3B06-DMA_ligand.pdbqt | data/3B/3B06-DMA/3B06-DMA_target.pdbqt | data/3B/3B06-DMA/3B06-DMA_decoys.pdbqt | data/3B/3B06-DMA/3B06-DMA_decoy_scores.csv |
3BAA-NMN | data/3B/3BAA-NMN/3BAA-NMN_ligand.pdbqt | data/3B/3BAA-NMN/3BAA-NMN_target.pdbqt | data/3B/3BAA-NMN/3BAA-NMN_decoys.pdbqt | data/3B/3BAA-NMN/3BAA-NMN_decoy_scores.csv |
3BD5-BTB | data/3B/3BD5-BTB/3BD5-BTB_ligand.pdbqt | data/3B/3BD5-BTB/3BD5-BTB_target.pdbqt | data/3B/3BD5-BTB/3BD5-BTB_decoys.pdbqt | data/3B/3BD5-BTB/3BD5-BTB_decoy_scores.csv |
3B7J-JUG | data/3B/3B7J-JUG/3B7J-JUG_ligand.pdbqt | data/3B/3B7J-JUG/3B7J-JUG_target.pdbqt | data/3B/3B7J-JUG/3B7J-JUG_decoys.pdbqt | data/3B/3B7J-JUG/3B7J-JUG_decoy_scores.csv |
3B2P-ARG | data/3B/3B2P-ARG/3B2P-ARG_ligand.pdbqt | data/3B/3B2P-ARG/3B2P-ARG_target.pdbqt | data/3B/3B2P-ARG/3B2P-ARG_decoys.pdbqt | data/3B/3B2P-ARG/3B2P-ARG_decoy_scores.csv |
3B82-NAD | data/3B/3B82-NAD/3B82-NAD_ligand.pdbqt | data/3B/3B82-NAD/3B82-NAD_target.pdbqt | data/3B/3B82-NAD/3B82-NAD_decoys.pdbqt | data/3B/3B82-NAD/3B82-NAD_decoy_scores.csv |
3BYX-C00 | data/3B/3BYX-C00/3BYX-C00_ligand.pdbqt | data/3B/3BYX-C00/3BYX-C00_target.pdbqt | data/3B/3BYX-C00/3BYX-C00_decoys.pdbqt | data/3B/3BYX-C00/3BYX-C00_decoy_scores.csv |
3BGX-TMP | data/3B/3BGX-TMP/3BGX-TMP_ligand.pdbqt | data/3B/3BGX-TMP/3BGX-TMP_target.pdbqt | data/3B/3BGX-TMP/3BGX-TMP_decoys.pdbqt | data/3B/3BGX-TMP/3BGX-TMP_decoy_scores.csv |
3B2Q-ATP | data/3B/3B2Q-ATP/3B2Q-ATP_ligand.pdbqt | data/3B/3B2Q-ATP/3B2Q-ATP_target.pdbqt | data/3B/3B2Q-ATP/3B2Q-ATP_decoys.pdbqt | data/3B/3B2Q-ATP/3B2Q-ATP_decoy_scores.csv |
3BD3-BTB | data/3B/3BD3-BTB/3BD3-BTB_ligand.pdbqt | data/3B/3BD3-BTB/3BD3-BTB_target.pdbqt | data/3B/3BD3-BTB/3BD3-BTB_decoys.pdbqt | data/3B/3BD3-BTB/3BD3-BTB_decoy_scores.csv |
3B2R-VDN | data/3B/3B2R-VDN/3B2R-VDN_ligand.pdbqt | data/3B/3B2R-VDN/3B2R-VDN_target.pdbqt | data/3B/3B2R-VDN/3B2R-VDN_decoys.pdbqt | data/3B/3B2R-VDN/3B2R-VDN_decoy_scores.csv |
3B1F-NAD | data/3B/3B1F-NAD/3B1F-NAD_ligand.pdbqt | data/3B/3B1F-NAD/3B1F-NAD_target.pdbqt | data/3B/3B1F-NAD/3B1F-NAD_decoys.pdbqt | data/3B/3B1F-NAD/3B1F-NAD_decoy_scores.csv |
3B7R-BIR | data/3B/3B7R-BIR/3B7R-BIR_ligand.pdbqt | data/3B/3B7R-BIR/3B7R-BIR_target.pdbqt | null | null |
3BD4-BTB | data/3B/3BD4-BTB/3BD4-BTB_ligand.pdbqt | data/3B/3BD4-BTB/3BD4-BTB_target.pdbqt | data/3B/3BD4-BTB/3BD4-BTB_decoys.pdbqt | data/3B/3BD4-BTB/3BD4-BTB_decoy_scores.csv |
3BDJ-MTE | data/3B/3BDJ-MTE/3BDJ-MTE_ligand.pdbqt | data/3B/3BDJ-MTE/3BDJ-MTE_target.pdbqt | null | null |
3B9J-290 | data/3B/3B9J-290/3B9J-290_ligand.pdbqt | data/3B/3B9J-290/3B9J-290_target.pdbqt | null | null |
3BJF-FBP | data/3B/3BJF-FBP/3BJF-FBP_ligand.pdbqt | data/3B/3BJF-FBP/3BJF-FBP_target.pdbqt | data/3B/3BJF-FBP/3BJF-FBP_decoys.pdbqt | data/3B/3BJF-FBP/3BJF-FBP_decoy_scores.csv |
3BQF-SSM | data/3B/3BQF-SSM/3BQF-SSM_ligand.pdbqt | data/3B/3BQF-SSM/3BQF-SSM_target.pdbqt | data/3B/3BQF-SSM/3BQF-SSM_decoys.pdbqt | data/3B/3BQF-SSM/3BQF-SSM_decoy_scores.csv |
3BKI-FQX | data/3B/3BKI-FQX/3BKI-FQX_ligand.pdbqt | data/3B/3BKI-FQX/3BKI-FQX_target.pdbqt | data/3B/3BKI-FQX/3BKI-FQX_decoys.pdbqt | data/3B/3BKI-FQX/3BKI-FQX_decoy_scores.csv |
3BP1-GUN | data/3B/3BP1-GUN/3BP1-GUN_ligand.pdbqt | data/3B/3BP1-GUN/3BP1-GUN_target.pdbqt | data/3B/3BP1-GUN/3BP1-GUN_decoys.pdbqt | data/3B/3BP1-GUN/3BP1-GUN_decoy_scores.csv |
3BMQ-AX5 | data/3B/3BMQ-AX5/3BMQ-AX5_ligand.pdbqt | data/3B/3BMQ-AX5/3BMQ-AX5_target.pdbqt | data/3B/3BMQ-AX5/3BMQ-AX5_decoys.pdbqt | data/3B/3BMQ-AX5/3BMQ-AX5_decoy_scores.csv |
3BIB-PSF | data/3B/3BIB-PSF/3BIB-PSF_ligand.pdbqt | data/3B/3BIB-PSF/3BIB-PSF_target.pdbqt | data/3B/3BIB-PSF/3BIB-PSF_decoys.pdbqt | data/3B/3BIB-PSF/3BIB-PSF_decoy_scores.csv |
3BWN-PHE | data/3B/3BWN-PHE/3BWN-PHE_ligand.pdbqt | data/3B/3BWN-PHE/3BWN-PHE_target.pdbqt | data/3B/3BWN-PHE/3BWN-PHE_decoys.pdbqt | data/3B/3BWN-PHE/3BWN-PHE_decoy_scores.csv |
3BFF-SFR | data/3B/3BFF-SFR/3BFF-SFR_ligand.pdbqt | data/3B/3BFF-SFR/3BFF-SFR_target.pdbqt | data/3B/3BFF-SFR/3BFF-SFR_decoys.pdbqt | data/3B/3BFF-SFR/3BFF-SFR_decoy_scores.csv |
3BKR-PLM | data/3B/3BKR-PLM/3BKR-PLM_ligand.pdbqt | data/3B/3BKR-PLM/3BKR-PLM_target.pdbqt | data/3B/3BKR-PLM/3BKR-PLM_decoys.pdbqt | data/3B/3BKR-PLM/3BKR-PLM_decoy_scores.csv |
3B7U-KEL | data/3B/3B7U-KEL/3B7U-KEL_ligand.pdbqt | data/3B/3B7U-KEL/3B7U-KEL_target.pdbqt | null | null |
3BE2-RAJ | data/3B/3BE2-RAJ/3BE2-RAJ_ligand.pdbqt | data/3B/3BE2-RAJ/3BE2-RAJ_target.pdbqt | data/3B/3BE2-RAJ/3BE2-RAJ_decoys.pdbqt | data/3B/3BE2-RAJ/3BE2-RAJ_decoy_scores.csv |
3BX8-PE5 | data/3B/3BX8-PE5/3BX8-PE5_ligand.pdbqt | data/3B/3BX8-PE5/3BX8-PE5_target.pdbqt | data/3B/3BX8-PE5/3BX8-PE5_decoys.pdbqt | data/3B/3BX8-PE5/3BX8-PE5_decoy_scores.csv |
3BGD-SAH | data/3B/3BGD-SAH/3BGD-SAH_ligand.pdbqt | data/3B/3BGD-SAH/3BGD-SAH_target.pdbqt | data/3B/3BGD-SAH/3BGD-SAH_decoys.pdbqt | data/3B/3BGD-SAH/3BGD-SAH_decoy_scores.csv |
3B1E-0JO | data/3B/3B1E-0JO/3B1E-0JO_ligand.pdbqt | data/3B/3B1E-0JO/3B1E-0JO_target.pdbqt | data/3B/3B1E-0JO/3B1E-0JO_decoys.pdbqt | data/3B/3B1E-0JO/3B1E-0JO_decoy_scores.csv |
3BER-AMP | data/3B/3BER-AMP/3BER-AMP_ligand.pdbqt | data/3B/3BER-AMP/3BER-AMP_target.pdbqt | data/3B/3BER-AMP/3BER-AMP_decoys.pdbqt | data/3B/3BER-AMP/3BER-AMP_decoy_scores.csv |
3BF3-PAZ | data/3B/3BF3-PAZ/3BF3-PAZ_ligand.pdbqt | data/3B/3BF3-PAZ/3BF3-PAZ_target.pdbqt | data/3B/3BF3-PAZ/3BF3-PAZ_decoys.pdbqt | data/3B/3BF3-PAZ/3BF3-PAZ_decoy_scores.csv |
3B6T-QUS | data/3B/3B6T-QUS/3B6T-QUS_ligand.pdbqt | data/3B/3B6T-QUS/3B6T-QUS_target.pdbqt | data/3B/3B6T-QUS/3B6T-QUS_decoys.pdbqt | data/3B/3B6T-QUS/3B6T-QUS_decoy_scores.csv |
3B05-FNR | data/3B/3B05-FNR/3B05-FNR_ligand.pdbqt | data/3B/3B05-FNR/3B05-FNR_target.pdbqt | data/3B/3B05-FNR/3B05-FNR_decoys.pdbqt | data/3B/3B05-FNR/3B05-FNR_decoy_scores.csv |
3B1M-KRC | data/3B/3B1M-KRC/3B1M-KRC_ligand.pdbqt | data/3B/3B1M-KRC/3B1M-KRC_target.pdbqt | data/3B/3B1M-KRC/3B1M-KRC_decoys.pdbqt | data/3B/3B1M-KRC/3B1M-KRC_decoy_scores.csv |
3BXF-FBP | data/3B/3BXF-FBP/3BXF-FBP_ligand.pdbqt | data/3B/3BXF-FBP/3BXF-FBP_target.pdbqt | data/3B/3BXF-FBP/3BXF-FBP_decoys.pdbqt | data/3B/3BXF-FBP/3BXF-FBP_decoy_scores.csv |
3B6H-MXD | data/3B/3B6H-MXD/3B6H-MXD_ligand.pdbqt | data/3B/3B6H-MXD/3B6H-MXD_target.pdbqt | data/3B/3B6H-MXD/3B6H-MXD_decoys.pdbqt | data/3B/3B6H-MXD/3B6H-MXD_decoy_scores.csv |
3BGR-T27 | data/3B/3BGR-T27/3BGR-T27_ligand.pdbqt | data/3B/3BGR-T27/3BGR-T27_target.pdbqt | data/3B/3BGR-T27/3BGR-T27_decoys.pdbqt | data/3B/3BGR-T27/3BGR-T27_decoy_scores.csv |
3BM1-FMN | data/3B/3BM1-FMN/3BM1-FMN_ligand.pdbqt | data/3B/3BM1-FMN/3BM1-FMN_target.pdbqt | data/3B/3BM1-FMN/3BM1-FMN_decoys.pdbqt | data/3B/3BM1-FMN/3BM1-FMN_decoy_scores.csv |
3B6J-FMN | data/3B/3B6J-FMN/3B6J-FMN_ligand.pdbqt | data/3B/3B6J-FMN/3B6J-FMN_target.pdbqt | data/3B/3B6J-FMN/3B6J-FMN_decoys.pdbqt | data/3B/3B6J-FMN/3B6J-FMN_decoy_scores.csv |
3B0X-DGT | data/3B/3B0X-DGT/3B0X-DGT_ligand.pdbqt | data/3B/3B0X-DGT/3B0X-DGT_target.pdbqt | data/3B/3B0X-DGT/3B0X-DGT_decoys.pdbqt | data/3B/3B0X-DGT/3B0X-DGT_decoy_scores.csv |
3B9O-FMN | data/3B/3B9O-FMN/3B9O-FMN_ligand.pdbqt | data/3B/3B9O-FMN/3B9O-FMN_target.pdbqt | data/3B/3B9O-FMN/3B9O-FMN_decoys.pdbqt | data/3B/3B9O-FMN/3B9O-FMN_decoy_scores.csv |
3B0R-GW9 | data/3B/3B0R-GW9/3B0R-GW9_ligand.pdbqt | data/3B/3B0R-GW9/3B0R-GW9_target.pdbqt | data/3B/3B0R-GW9/3B0R-GW9_decoys.pdbqt | data/3B/3B0R-GW9/3B0R-GW9_decoy_scores.csv |
3B87-PE8 | data/3B/3B87-PE8/3B87-PE8_ligand.pdbqt | data/3B/3B87-PE8/3B87-PE8_target.pdbqt | data/3B/3B87-PE8/3B87-PE8_decoys.pdbqt | data/3B/3B87-PE8/3B87-PE8_decoy_scores.csv |
3BI6-396 | data/3B/3BI6-396/3BI6-396_ligand.pdbqt | data/3B/3BI6-396/3BI6-396_target.pdbqt | data/3B/3BI6-396/3BI6-396_decoys.pdbqt | data/3B/3BI6-396/3BI6-396_decoy_scores.csv |
3BDA-C4B | data/3B/3BDA-C4B/3BDA-C4B_ligand.pdbqt | data/3B/3BDA-C4B/3BDA-C4B_target.pdbqt | data/3B/3BDA-C4B/3BDA-C4B_decoys.pdbqt | data/3B/3BDA-C4B/3BDA-C4B_decoy_scores.csv |
3B0Y-DGT | data/3B/3B0Y-DGT/3B0Y-DGT_ligand.pdbqt | data/3B/3B0Y-DGT/3B0Y-DGT_target.pdbqt | data/3B/3B0Y-DGT/3B0Y-DGT_decoys.pdbqt | data/3B/3B0Y-DGT/3B0Y-DGT_decoy_scores.csv |
3BFX-A3P | data/3B/3BFX-A3P/3BFX-A3P_ligand.pdbqt | data/3B/3BFX-A3P/3BFX-A3P_target.pdbqt | data/3B/3BFX-A3P/3BFX-A3P_decoys.pdbqt | data/3B/3BFX-A3P/3BFX-A3P_decoy_scores.csv |
3BYO-AM9 | data/3B/3BYO-AM9/3BYO-AM9_ligand.pdbqt | data/3B/3BYO-AM9/3BYO-AM9_target.pdbqt | data/3B/3BYO-AM9/3BYO-AM9_decoys.pdbqt | data/3B/3BYO-AM9/3BYO-AM9_decoy_scores.csv |
3BJM-BJM | data/3B/3BJM-BJM/3BJM-BJM_ligand.pdbqt | data/3B/3BJM-BJM/3BJM-BJM_target.pdbqt | data/3B/3BJM-BJM/3BJM-BJM_decoys.pdbqt | data/3B/3BJM-BJM/3BJM-BJM_decoy_scores.csv |
3BFG-MER | data/3B/3BFG-MER/3BFG-MER_ligand.pdbqt | data/3B/3BFG-MER/3BFG-MER_target.pdbqt | data/3B/3BFG-MER/3BFG-MER_decoys.pdbqt | data/3B/3BFG-MER/3BFG-MER_decoy_scores.csv |
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