jfaustin commited on
Commit
240124f
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1 Parent(s): f14d711

Improve text in experiment tab and frame as ab discovery

Browse files
folding_studio_demo/app.py CHANGED
@@ -266,21 +266,28 @@ def model_comparison(api_key: str) -> None:
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  )
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- def create_correlation_tab():
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- gr.Markdown("# Correlation with experimental binding affinity data")
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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 antibody-antigen pairs.
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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. These scores are then correlated
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- with the experimental binding affinity measurements to evaluate their effectiveness as predictors
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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)
@@ -429,7 +436,7 @@ def __main__():
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  simple_prediction(api_key)
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  with gr.Tab("πŸ“Š Model Comparison"):
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  model_comparison(api_key)
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- with gr.Tab("πŸ” Correlations"):
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- create_correlation_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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+
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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("πŸ“Š Model Comparison"):
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  model_comparison(api_key)
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+ with gr.Tab("πŸ§ͺ Antibody Discovery"):
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+ create_antibody_discovery_tab()
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  demo.launch()
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 linregress, pearsonr, spearmanr
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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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