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crabnet-hyperparameter / train_surrogate.py

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Refactor evaluate function in app.py to include parameter scaling and unscaled evaluation

58815da

sgbaird commited on Mar 27, 2024

Add parameter validation to CrabNetSurrogateModel in surrogate.py

cf2a0fd

sgbaird commited on Mar 25, 2024

Add train_surrogate.py to repository

dff7fab

sgbaird commited on Mar 23, 2024