doubledeepms_fit_thermo_model: doubledeepms_fit_thermo_model

In lehner-lab/doubledeepms: Analysis scripts to reproduce the figures and results from doubleDeepPCA manuscript

doubledeepms_fit_thermo_model

Description

Fit thermo models

Usage

doubledeepms_fit_thermo_model(base_dir,
  mochi_output_name = "mochi__fit_tmodel_3state_sparse_dimsum128",
  tmodel_job_number = 1, tmodel_grid_search = FALSE,
  tmodel_protein = "all", tmodel_subset = "100",
  tmodel_hyperparameters, execute = TRUE)

Arguments

base_dir	Base directory for all output files
mochi_output_name	temperature in degrees celcuis (default:30)
tmodel_job_number	Thermodynamic model fit job number: 1:final model, 2-11: monte carlo simluations for confidence intervals of model-inferred free energies (default:1)
tmodel_grid_search	Thermodynamic model fit grid search to determine optimal hyperparameters (default:FALSE)
tmodel_protein	Thermodynamic model fit proteins: comma-separated list of names or 'all' (default:'all')
tmodel_subset	Thermodynamic model fit data subset: either an integer percentage of subsampled doubles (1-100) or "binding_only" or "singles_only" (default:"100")
tmodel_hyperparameters	path table of hyperparameters
execute	whether or not to execute the analysis (default: TRUE)

Value

Nothing

lehner-lab/doubledeepms documentation built on July 21, 2023, 4:10 a.m.