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Datasets:
THU-ATOM
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fepplus
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Tsinghua AI-driven TransfOrmative Medicine Lab
14
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xet
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fepplus
/
fep_benchmark_inputs
/
structure_inputs
/
janssen_bace
2.59 MB
1 contributor
History:
1 commit
WuKL666
Add FEPPlus benchmark and all pocket pdbs
0f8bca2
3 months ago
bace_ciordia_prospective_edges.csv
439 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_ciordia_prospective_ligands.sdf
29 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_ciordia_prospective_protein.pdb
599 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_ciordia_retro_edges.csv
1.6 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_ciordia_retro_ligands.sdf
121 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_ciordia_retro_protein.pdb
599 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_keranen_p2_edges.csv
666 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_keranen_p2_ligands.sdf
72.6 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_keranen_p2_protein.pdb
511 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_p3_arg368_in_edges.csv
993 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_p3_arg368_in_ligands.sdf
76.9 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
bace_p3_arg368_in_protein.pdb
575 kB
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
subset_metadata.csv
505 Bytes
xet
Add FEPPlus benchmark and all pocket pdbs
3 months ago
