core.units.mlip_unit.api.inference

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

Enum where members are also (and must be) strings

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: fairchem.core.common.utils.StrEnum

Enum where members are also (and must be) strings

OMOL = 'omol'#
OMAT = 'omat'#
ODAC = 'odac'#
OC20 = 'oc20'#
OC25 = 'oc25'#
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#
torch_num_threads: 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)#
Contents