FRET-FACS / weights /README.md
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Initial release: FRET-FACS pipeline, weights, and datasets
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Pre-trained model checkpoints

Each subdirectory holds the minimum artifacts needed to run the matching script in evaluation/, plus metadata for reproducibility. Training-time performance diagnostics (ROC/PR curves, confusion matrices, Optuna trial tables, etc.) are not included — regenerate them with --save-diagnostics when re-training.

nn_one_hot/

File Purpose
model_weights/one_hot_model_full_model.h5 Primary Keras checkpoint
model_weights/one_hot_model_weights.h5 Weights-only fallback
model_weights/one_hot_model_architecture.json Architecture fallback (with weights H5)
one_hot_nn_validation_temperature.csv Temperature scaling for inference
one_hot_nn_validation_validation_diagnostics_summary.csv F1-optimal classification threshold
model_parameters.json Training hyperparameters and target_length
best_hyperparameters.csv Optuna best trial (architecture fallback)
random_seed.txt Random seed used during training

Evaluator: evaluation/evaluate_nn_one_hot.py

rf_one_hot/

File Purpose
one_hot_rf_model.joblib sklearn RandomForest + embedded target_length
one_hot_rf_validation_temperature.csv Temperature scaling
one_hot_rf_validation_validation_diagnostics_summary.csv F1-optimal threshold
model_parameters.json Training metadata
best_hyperparameters.csv Optuna best trial
random_seed.txt Random seed

Evaluator: evaluation/evaluate_rf_one_hot.py

nn_mean_pertoken_esm/

Per head (mean and per_token):

File pattern Purpose
{head}_embeddings_model_weights.h5 Keras softmax head
{head}_embeddings_scaler.npy StandardScaler used at training
{head}_embeddings_pca.npy PCA for per-token head only
{head}_embeddings_validation_temperature.csv Temperature scaling
{head}_embeddings_validation_validation_diagnostics_summary.csv F1-optimal threshold
{head}_embeddings_hyperparameters.csv Learning rate, L1, epochs

Plus model_parameters.json and random_seed.txt.

Evaluator: evaluation/evaluate_nn_mean_pertoken_esm.py — also requires .pt embedding caches (not shipped; see extract_embeddings/).

rf_mean_pertoken_esm/

Per head (mean and per_token):

File pattern Purpose
{head}_embeddings_rf_model.joblib sklearn RandomForest
{head}_embeddings_scaler.joblib Fitted scaler
{head}_embeddings_pca.joblib PCA for per-token head only
{head}_embeddings_validation_temperature.csv Temperature scaling
{head}_embeddings_validation_validation_diagnostics_summary.csv F1-optimal threshold
{head}_embeddings_hyperparameters.csv RF hyperparameters from Optuna

Plus model_parameters.json and random_seed.txt.

Evaluator: evaluation/evaluate_rf_mean_pertoken_esm.py — also requires .pt embedding caches.

Composition logistic regression

No bundle is shipped here. Train with models/lr_sequence_composition_baseline.py, then point evaluation/evaluate_lr_sequence_composition.py at the output directory (needs composition_lr_model.joblib + calibration CSVs).