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README.md
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ESM2-GBT: Gradient Boosted Trees on ESM2 Embeddings
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The ESM2-GBT model is a Gradient Boosted Trees (GBT) regressor trained on ESM2 embeddings from Meta’s ESM2 protein language model. It is designed for binding affinity predictive tasks.
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ACE2_RBD_ESM2-GBT.json
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Predicts binding affinity between ACE2 and RBD proteins.
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General_ESM2-GBT.json
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General-purpose GBT model trained on ESM2 embeddings.
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• Base Model: ESM2
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• Architecture: Gradient Boosted Trees (CatBoostRegressor)
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• Task: Regression
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from huggingface_hub import hf_hub_download
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# Download ACE2 RBD model/General model
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model_path = hf_hub_download(repo_id="hbp5181/ESM2-GBT", filename="ACE2_RBD_ESM2-GBT.json")
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from catboost import CatBoostRegressor
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model = CatBoostRegressor()
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model.load_model(model_path, format="json")
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# Predictions using your own dataset!
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• Feature Extraction: ESM2 embeddings (33-layer transformer, 650M params)
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• Training Algorithm: CatBoost Gradient Boosting
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• Dataset: your own dataset
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• Evaluation Metrics: RMSE, R^2
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• Binding affinity predictions
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• The model is trained on ESM2 embeddings and is limited by the quality of those embeddings.
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• Not a deep-learning model; instead, it leverages GBTs for fast, interpretable predictions.
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👤 Maintainer: hbp5181@psu.edu
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📅 Last Updated: February 2025
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---
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ESM2-GBT: Gradient Boosted Trees on ESM2 Embeddings
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# Model Overview
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The ESM2-GBT model is a Gradient Boosted Trees (GBT) regressor trained on ESM2 embeddings from Meta’s ESM2 protein language model. It is designed for binding affinity predictive tasks.
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# Available Models:
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ACE2_RBD_ESM2-GBT.json
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Predicts binding affinity between ACE2 (human and animals) and RBD proteins.
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General_ESM2-GBT.json
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General-purpose GBT model trained on ESM2 embeddings.
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# Model Details
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• Base Model: ESM2
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• Architecture: Gradient Boosted Trees (CatBoostRegressor)
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• Task: Regression
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# How to Use
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Download Model from Hugging Face
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from huggingface_hub import hf_hub_download
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# Download ACE2 RBD model/General model
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model_path = hf_hub_download(repo_id="hbp5181/ESM2-GBT", filename="ACE2_RBD_ESM2-GBT.json")
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Load Model in CatBoost
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from catboost import CatBoostRegressor
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model = CatBoostRegressor()
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model.load_model(model_path, format="json")
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# Predictions using your own dataset!
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Training Details
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• Feature Extraction: ESM2 embeddings (33-layer transformer, 650M params)
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• Training Algorithm: CatBoost Gradient Boosting
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• Dataset: your own dataset
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• Evaluation Metrics: RMSE, R^2
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# Applications
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• Binding affinity predictions
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Limitations & Considerations
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• The model is trained on ESM2 embeddings and is limited by the quality of those embeddings.
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• Not a deep-learning model; instead, it leverages GBTs for fast, interpretable predictions.
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# Citation
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👤 Maintainer: hbp5181@psu.edu
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📅 Last Updated: February 2025
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