Upload AF3D_pLDDT_PChem3D_Shapes_Energy_Binding_2025_03_14.csv

Columns: "Disease to cure" "PDB_protein_key" "AF 3D AtomicData" "AF_Confidence_pLDDT" "DC Binding Affinity of Compound" "DC Activity Measurement of Binding Compound" "swissprot" "target_name" "target_class" "gene" "one_accession" "drug_name" "CAS Number" "pubchem_cid" "pubchem_conformer_id" "pubchem_molecular_formula" "SMILES" "pubchem_inchi" "PubChem_3D_Coordinates_With_Atoms" "PubChem_Bond_Connectivity" "pubchem_coordinate_type" "pubchem_pharmacophore_features" "pubchem_shape_fingerprint" "pubchem_shape_multipoles" "pubchem_shape_selfoverlap" "pubchem_shape_volume" "pubchem_conformer_diverseorder" "pubchem_mmff94_partial_charges" "pubchem_mmff94_energy" "pubchem_feature_selfoverlap" "pubchem_effective_rotor_count" "pubchem_xlogp" "pubchem_exactmass" "pubchem_tpsa" "pubchem_complexity" "pubchem_charge" "pubchem_hbonddonorcount" "pubchem_hbondacceptorcount" "pubchem_rotatablebondcount" "pubchem_conformer_rmsd" "pubchem_heavy_atom_count" "pubchem_atom_def_stereo_count" "pubchem_atom_udef_stereo_count" "pubchem_bond_def_stereo_count" "pubchem_bond_udef_stereo_count" "pubchem_isotopic_atom_count" "pubchem_component_count" "pubchem_cactvs_tauto_count"

.gitattributes

@@ -57,3 +57,4 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
 # Video files - compressed
 *.mp4 filter=lfs diff=lfs merge=lfs -text
 *.webm filter=lfs diff=lfs merge=lfs -text
+AF3D_pLDDT_PChem3D_Shapes_Energy_Binding_2025_03_14.csv filter=lfs diff=lfs merge=lfs -text

AF3D_pLDDT_PChem3D_Shapes_Energy_Binding_2025_03_14.csv

@@ -0,0 +1,3 @@
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+oid sha256:47d19e8eab7d6356887633569b75088d0a545b560584191f00f37a52db58146e
+size 5176957045