Cli Interface

The cli Interface can be accessed globaly after running julia --project build/build.jl install.

	~/.julia/bin/mlnanoshaper train [options] [flags]

Train a model.

Intro

Train a model that can reconstruct a protein surface using Machine Learning. Default value of parameters are specified in the param/param.toml file. In order to override the param, you can use the differents options.

Options

--nb_epoch NB_EPOCH the number of epochs to compute (type: Int64, default: 0) --batch_size BATCH_SIZE the size of the batch, must be configured in function of VRAM size (type: Int64, default: 0) -m, --model MODEL the model name (default: "") --van_der_waals_channel whether to use van der Waals channel --smoothing whether to enforce smoothing --nb_data_points NB_DATA_POINTS the number of proteins in the dataset to use (type: Int64, default: 0) -n, --name NAME name of the training run (default: "") -c, --cutoff_radius CUTOFF_RADIUS the cutoff_radius used in training (type: Float32, default: 0.0) --ref_distance REF_DISTANCE the reference distance (in A) used to rescale distance to surface in loss (type: Float32, default: 0.0) --loss LOSS the loss function (default: "categorical") -l, --learning_rate LEARNING_RATE the learning rate used by the model in training (type: Float64, default: 1.0e-5) -g, --on_gpu should we do the training on the gpu -h, --help show this help message and exit