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10 changes: 7 additions & 3 deletions esm/models/esmfold2/processor.py
Original file line number Diff line number Diff line change
Expand Up @@ -339,7 +339,7 @@ def fold(
lm_mask_pct: float | None = None,
early_exit: bool = False,
lm_dropout: float | None = 0.3,
msa_max_depth: int = 1024,
msa_max_depth: int | None = 1024,
msa_column_mask_rate: float = 0.1,
complex_id: str = "pred",
) -> MolecularComplexResult | list[MolecularComplexResult]:
Expand All @@ -364,9 +364,11 @@ def fold(
LM-embedding dropout for this fold (fresh mask per loop → diverse
ensemble on repeated folds). Defaults to ``0.3`` (paper folding-eval
value); ``0``/``None`` disables.
msa_max_depth : int
msa_max_depth : int, optional
Maximum number of MSA rows kept per loop (row subsampling
is drawn fresh per loop). Only affects inputs that carry an MSA.
is drawn fresh per loop). When ``None``, MSA row subsampling is
disabled and the full MSA depth is used. Only affects inputs that
carry an MSA.
msa_column_mask_rate : float
Fraction of MSA columns masked once before the loop
(shared across loops). Only affects inputs that carry an MSA.
Expand Down Expand Up @@ -403,6 +405,8 @@ def fold(
early_exit=early_exit,
msa_max_depth=msa_max_depth,
msa_column_mask_rate=msa_column_mask_rate,
# A null depth means "use the full MSA" => no subsampling.
msa_subsample_at_inference=msa_max_depth is not None,
**sampler_kwargs,
)

Expand Down
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