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Datasets:
THU-ATOM
/
fepplus
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Tsinghua AI-driven TransfOrmative Medicine Lab
23
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xet
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fepplus
/
fep_benchmark_inputs
/
structure_inputs
/
macrocycles
2.91 MB
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1 contributor
History:
1 commit
WuKL666
Add FEPPlus benchmark and all pocket pdbs
0f8bca2
11 months ago
2B8V_lig24and25_alpha05_edges.csv
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60 Bytes
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Add FEPPlus benchmark and all pocket pdbs
11 months ago
2B8V_lig24and25_alpha05_ligands.sdf
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8.42 kB
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11 months ago
2B8V_lig24and25_alpha05_protein.pdb
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536 kB
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Add FEPPlus benchmark and all pocket pdbs
11 months ago
2E9P_lig4to7_alpha05_edges.csv
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223 Bytes
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11 months ago
2E9P_lig4to7_alpha05_ligands.sdf
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12.5 kB
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11 months ago
2E9P_lig4to7_alpha05_protein.pdb
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392 kB
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Add FEPPlus benchmark and all pocket pdbs
11 months ago
2Q15_lig17to21_alpha05_edges.csv
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360 Bytes
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11 months ago
2Q15_lig17to21_alpha05_ligands.sdf
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35.3 kB
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11 months ago
2Q15_lig17to21_alpha05_protein.pdb
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484 kB
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11 months ago
3RKZ_lig62to70_alpha05_edges.csv
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386 Bytes
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11 months ago
3RKZ_lig62to70_alpha05_ligands.sdf
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35.6 kB
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11 months ago
3RKZ_lig62to70_alpha05_protein.pdb
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270 kB
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11 months ago
MHT1_lig3_alpha05_edges.csv
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156 Bytes
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11 months ago
MHT1_lig3_alpha05_ligands.sdf
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9.63 kB
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11 months ago
MHT1_lig3_alpha05_protein.pdb
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230 kB
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11 months ago
ck2_custcore_hotlys_edges.csv
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73 Bytes
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11 months ago
ck2_custcore_hotlys_ligands.sdf
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6.79 kB
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11 months ago
ck2_custcore_hotlys_protein.pdb
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489 kB
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11 months ago
hsp90_3hvd_custcore_edges.csv
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632 Bytes
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11 months ago
hsp90_3hvd_custcore_ligands.sdf
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36.6 kB
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11 months ago
hsp90_3hvd_custcore_protein.pdb
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364 kB
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11 months ago
subset_metadata.csv
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803 Bytes
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11 months ago
