jobq_sample

# Running the setup_jobq.sh script will create a cron job in the current user
# (or root if sudo) to read the job queue and continuously maintain up to date predictions.

# Sample jobq file to illustrate format.
# The actual job queue would be named jobq without the _sample at the end.
# All lines beginning with a hash are treated as comments.

# Maximum number of concurrent predictions.
# Recommend setting to less than the number of CPU cores.
MAX 2

# Queued prediction jobs. Will be run if absent or outdated in dock_results.json.
PRDT OR51E2 propionic_acid
PRDT OR51E2 acetic_acid
PRDT OR51E2 butyric_acid
PRDT OR51E2 formic_acid
PRDT OR51E2 isovaleric_acid
PRDT OR51E2 valeric_acid
PRDT OR51E2 caproic_acid
PRDT OR51E2 oenanthic_acid
PRDT OR51E2 caprylic_acid
PRDT OR51E2 pelargonic_acid
PRDT OR51E2 capric_acid
PRDT OR51E2 lauric_acid
PRDT OR51E2 myristic_acid
PRDT OR51E2 isobutyric_acid
PRDT OR51E2 pivalic_acid

PRDT OR2M3 3-mercapto-2-methylpentan-1-ol
PRDT OR2T11 tert-butyl_mercaptan
PRDT OR5K1 hazelnut_pyrazine
PRDT OR8H1 skatole

PRDT TAAR5 trimethylamine
PRDT TAAR6 cadaverine
PRDT TAAR8 N-methylpiperidine
PRDT TAAR9 N-methylpiperidine

PRDT OR1A1 geraniol
PRDT OR1D2 bourgeonal
PRDT OR1G1 2-undecanone
PRDT OR2W1 geraniol
PRDT OR3A1 helional
PRDT OR5A2 habanolide
PRDT OR5P3 coumarin
PRDT OR5AN1 muscone
PRDT OR6P1 phenylacetaldehyde
PRDT OR8D1 caramel_furanone
PRDT OR9Q2 p-cresol
PRDT OR10G7 eugenol
PRDT OR10J5 lyral
PRDT OR11A1 2-ethyl_fenchol
PRDT OR11H7 isovaleric_acid