core.units.mlip_unit.api.inference

Copyright (c) Meta Platforms, Inc. and affiliates.

This source code is licensed under the MIT license found in the LICENSE file in the root directory of this source tree.

Attributes

CHARGE_RANGE
SPIN_RANGE
DEFAULT_CHARGE
DEFAULT_SPIN_OMOL
DEFAULT_SPIN
NAME_TO_INFERENCE_SETTING

Classes

UMATask	str(object='') -> str
MLIPInferenceCheckpoint
InferenceSettings

Functions

inference_settings_default()
inference_settings_turbo()
inference_settings_traineval()
guess_inference_settings(settings)

Module Contents

class core.units.mlip_unit.api.inference.UMATask

Bases: str, enum.Enum

str(object=’’) -> str str(bytes_or_buffer[, encoding[, errors]]) -> str

Create a new string object from the given object. If encoding or errors is specified, then the object must expose a data buffer that will be decoded using the given encoding and error handler. Otherwise, returns the result of object.__str__() (if defined) or repr(object). encoding defaults to sys.getdefaultencoding(). errors defaults to ‘strict’.

OMOL = 'omol'

OMAT = 'omat'

ODAC = 'odac'

OC20 = 'oc20'

OMC = 'omc'

core.units.mlip_unit.api.inference.CHARGE_RANGE

core.units.mlip_unit.api.inference.SPIN_RANGE = [0, 100]

core.units.mlip_unit.api.inference.DEFAULT_CHARGE = 0

core.units.mlip_unit.api.inference.DEFAULT_SPIN_OMOL = 1

core.units.mlip_unit.api.inference.DEFAULT_SPIN = 0

class core.units.mlip_unit.api.inference.MLIPInferenceCheckpoint

model_config: dict

model_state_dict: dict

ema_state_dict: dict

tasks_config: dict

class core.units.mlip_unit.api.inference.InferenceSettings

tf32: bool = False

activation_checkpointing: bool | None = None

merge_mole: bool = False

compile: bool = False

wigner_cuda: bool | None = None

external_graph_gen: bool | None = None

internal_graph_gen_version: int | None = None

core.units.mlip_unit.api.inference.inference_settings_default()

core.units.mlip_unit.api.inference.inference_settings_turbo()

core.units.mlip_unit.api.inference.inference_settings_traineval()

core.units.mlip_unit.api.inference.NAME_TO_INFERENCE_SETTING

core.units.mlip_unit.api.inference.guess_inference_settings(settings: str | InferenceSettings)