deepmd.pt.entrypoints.main

Attributes

log

Classes

SummaryPrinter

Summary printer for PyTorch.

Functions

get_trainer(→ deepmd.pt.train.training.Trainer)
train(→ None)
freeze(→ None)
change_bias(→ None)
main(→ None)

Module Contents

deepmd.pt.entrypoints.main.log

deepmd.pt.entrypoints.main.get_trainer(config: dict[str, Any], init_model: str | None = None, restart_model: str | None = None, finetune_model: str | None = None, force_load: bool = False, init_frz_model: str | None = None, shared_links: dict[str, Any] | None = None, finetune_links: dict[str, Any] | None = None) → deepmd.pt.train.training.Trainer

class deepmd.pt.entrypoints.main.SummaryPrinter

Bases: deepmd.utils.summary.SummaryPrinter

Summary printer for PyTorch.

is_built_with_cuda() → bool

Check if the backend is built with CUDA.

is_built_with_rocm() → bool

Check if the backend is built with ROCm.

get_compute_device() → str

Get Compute device.

get_ngpus() → int

Get the number of GPUs.

get_backend_info() → dict

Get backend information.

deepmd.pt.entrypoints.main.train(input_file: str, init_model: str | None, restart: str | None, finetune: str | None, init_frz_model: str | None, model_branch: str, skip_neighbor_stat: bool = False, use_pretrain_script: bool = False, force_load: bool = False, output: str = 'out.json') → None

deepmd.pt.entrypoints.main.freeze(model: str, output: str = 'frozen_model.pth', head: str | None = None) → None

deepmd.pt.entrypoints.main.change_bias(input_file: str, mode: str = 'change', bias_value: list | None = None, datafile: str | None = None, system: str = '.', numb_batch: int = 0, model_branch: str | None = None, output: str | None = None) → None

deepmd.pt.entrypoints.main.main(args: list[str] | argparse.Namespace | None = None) → None