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UnixJunkie / ACP4

AutoCorrelation of Pharmacophore Features
GNU General Public License v3.0
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look into a shape feature #10

Open UnixJunkie opened 1 day ago

UnixJunkie commented 1 day ago

maybe bench on LIT-PCBA to get the dx and d_cut parameters in this case

UnixJunkie commented 1 day ago

make it a shape-only mode via a new CLI option