Improve text in experiment tab and frame as ab discovery
Browse files- folding_studio_demo/app.py +18 -11
- folding_studio_demo/correlate.py +1 -1
folding_studio_demo/app.py
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@@ -266,21 +266,28 @@ def model_comparison(api_key: str) -> None:
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def
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gr.Markdown("#
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gr.Markdown("""
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This analysis explores the relationship between protein folding model confidence scores and experimental binding affinity data.
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The experimental dataset contains binding affinity measurements (KD in nM) between
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Each data point includes:
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- The antibody's light and heavy chain sequences
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- The antigen sequence
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- The experimental KD value
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The analysis involves submitting these sequences to protein folding models for 3D structure prediction.
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The models generate various confidence scores for each prediction.
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with the experimental binding affinity measurements
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of binding strength.
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""")
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spr_data_with_scores = pd.read_csv("spr_af_scores_mapped.csv")
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spr_data_with_scores = spr_data_with_scores.rename(columns=SCORE_COLUMN_NAMES)
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@@ -429,7 +436,7 @@ def __main__():
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simple_prediction(api_key)
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with gr.Tab("π Model Comparison"):
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model_comparison(api_key)
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with gr.Tab("
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demo.launch()
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)
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def create_antibody_discovery_tab():
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gr.Markdown("# Accelerating Antibody Discovery: In-Silico and Experimental Insights")
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gr.Markdown("""
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This analysis explores the relationship between protein folding model confidence scores and experimental binding affinity data, with the goal of accelerating antibody drug discovery.
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The experimental dataset contains binding affinity measurements (KD in nM) between different antibodies and a fixed antigen target.
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Each data point includes:
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- The antibody's light and heavy chain sequences
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- The antigen sequence
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- The experimental KD value (binding strength)
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The analysis involves submitting these sequences to protein folding models for 3D structure prediction.
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The models generate various confidence scores for each prediction. By correlating these scores
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with the experimental binding affinity measurements, we can identify which confidence metrics
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are the best predictors of actual binding strength.
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This correlation study has important implications for drug discovery: once we identify a reliable
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computational predictor of binding affinity, we can use it to rapidly screen thousands of candidate
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antibody sequences in-silico. This computational approach is much faster than experimental testing,
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allowing us to efficiently identify promising antibody candidates that are likely to bind strongly
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to the target antigen. The best candidates can then be validated experimentally, significantly
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accelerating the drug discovery process.
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""")
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spr_data_with_scores = pd.read_csv("spr_af_scores_mapped.csv")
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spr_data_with_scores = spr_data_with_scores.rename(columns=SCORE_COLUMN_NAMES)
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simple_prediction(api_key)
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with gr.Tab("π Model Comparison"):
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model_comparison(api_key)
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with gr.Tab("π§ͺ Antibody Discovery"):
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create_antibody_discovery_tab()
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demo.launch()
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folding_studio_demo/correlate.py
CHANGED
@@ -4,7 +4,7 @@ from pathlib import Path
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import numpy as np
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import pandas as pd
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import plotly.graph_objects as go
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from scipy.stats import
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logger = logging.getLogger(__name__)
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import numpy as np
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import pandas as pd
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import plotly.graph_objects as go
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from scipy.stats import pearsonr, spearmanr
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logger = logging.getLogger(__name__)
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