| GoForth |
|
Jeremy Yang |
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| goforth - evolve and multiply SMILES populations with |
| reaction transforms. |
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| |
| goforth [opts] smirksfile.dat < in.smi |
| |
| opts: |
| -db <dbspec> ... Thor db to create |
| -dbsize <npri> ... Size of db to create |
| -nmax <N> ... Maximum population to achieve |
| -genmax <I> ... Maximum number of generations |
| -sample <J> ... Select only every jth hit |
| -nofitness ... Ignore fitness considerations |
| -badsmarts <file> ... Reject matches with SMARTS |
| -help ... this help |
| |
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| Daylight CIS, Inc. |
| Toolkit (DayPerl) Contributed Program |
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