core.models

Subpackages

• core.models.equiformer_v2
• core.models.escn
• core.models.gemnet
• core.models.gemnet_gp
• core.models.gemnet_oc
• core.models.painn
• core.models.scn
• core.models.utils

Submodules

• core.models.base
• core.models.dimenet_plus_plus
• core.models.model_registry
• core.models.schnet

Attributes

available_pretrained_models

Functions

model_name_to_local_file(→ str)

Download a pretrained checkpoint if it does not exist already

Package Contents

core.models.available_pretrained_models

core.models.model_name_to_local_file(model_name: str, local_cache: str | pathlib.Path) → str

Download a pretrained checkpoint if it does not exist already

Parameters:

• model_name (str) – the model name. See available_pretrained_checkpoints.

• local_cache (str or Path) – path to local cache directory

Returns:

local path to checkpoint file

Return type:

str