Nick Boyd nboyd
nboyd
/ modal_design.py
Created
October 27, 2025 14:59
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| ######### | |
| # | |
| # Low-hanging fruit: | |
| # 1. Epitope selection! E.g. using Pesto-style predictor or something simple (SASA + charge?) | |
| # 2. Cropping! Could be sped up by a factor of 5-10 by cropping the target properly | |
| # 3. Early stopping. Kill runs that are going poorly in early stages | |
| # 4. Filtering + ranking with more models | |
| # 5. Different design models, hyperparameter tuning etc. E.g. Boltz2 + templates | |
| # | |
| import modal |
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| class FunctionWrapperContextManager: | |
| def __init__(self, module, function_names, callback): | |
| """ | |
| Create a context manager that wraps multiple functions in a module. | |
| Calls to those functions are dispatched to a callback. | |
| Args: | |
| module (module): The module containing the functions to wrap | |
| function_names (list): List of function names to wrap |