search

braceal / molecules

Machine learning for molecular dynamics.
MIT License
5 stars 5 forks source link

yaml parameter file #30

Open braceal opened 4 years ago

braceal commented 4 years ago

have a --config parameters.yaml and then parse the other CLA paramters and overwrite the parameters.yaml with those

config file is the only required command line arg the others are all optional, check if they are specified and then conditionally overwrite

function: process parameters which does that in a clean way function: generate yaml files on the fly for hparam sweep and documenting model params

braceal commented 4 years ago

Add to wandb https://docs.wandb.com/library/config