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Parameters

folding_oracle
FoldingOracle
required
The FoldingOracle instance to log (e.g. an ESMFold instance).
log_interval
int
required
Interval (in steps) at which to log structures for the current system.

Methods

on_optimization_start

Parameters
context
CallbackContext
required

on_step_end

Parameters
context
CallbackContext
required

Example

import bagel as bg

esmfold = bg.oracles.ESMFold(use_modal=True)
callbacks = [
    bg.callbacks.FoldingLogger(folding_oracle=esmfold, log_interval=50),
]