ESMFold is a folding oracle that wraps Meta’s ESMFold model for single-sequence protein structure prediction. It returns 3D atomic coordinates along with confidence metrics (pLDDT, pTM, PAE) that are consumed by structure-based energy terms.
For multimer prediction, ESMFold uses either a glycine linker between chains or a gap in positional embeddings (default: skip of 512) to signal chain boundaries. These can be configured via the config parameter.
ESMFold inference is powered by boileroom. boileroom handles model loading, GPU execution, and dependency isolation — either serverlessly via Modal or locally via Apptainer. See the boileroom ESMFold reference for backend configuration details.
Parameters
bool
default:"False"
Whether to run ESMFold on Modal’s serverless GPU infrastructure. Set to
True for serverless execution (no local GPU required), or False for local GPU execution.dict[str, Any]
default:"{}"
Model-specific configuration. Common keys:
glycine_linker(str): linker sequence between chains (e.g.,"GGGG"). Default: no linker.position_ids_skip(int): gap in positional embeddings between chains. Default:512.
App | None
default:"None"
Optional Modal app context for reusing an existing Modal session.
Attributes
Type[ESMFoldResult]
The result class for this oracle.
ESMFoldResult extends FoldingResult with ESMFold-specific attributes (pLDDT, pTM, PAE arrays).Methods
fold
Fold a list of chains using ESMFold. ParametersList[Chain]
required
The chains to fold. For multimer prediction, pass multiple chains.