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-rw-r--r--convert-smile.sh728logplain
-rw-r--r--dock-and-score.sh1096logplain
-rw-r--r--get-best.py930logplain
-rwxr-xr-xmain.sh4108logplain
-rw-r--r--makeReport.py11906logplain
-rw-r--r--quick-ligand-protein.py2401logplain
-rw-r--r--report.sh1893logplain
-rw-r--r--test.sh1351logplain