ERG Heatmap Streamlit app

What it does

• Upload a CSV (like activity_CHEMBL202_ERG.csv).
• The CSV file can be generated from any original file containing these type of columns (ID [e.g. CHEMBLID, CID], SMILES, any activity in form of pchembl or 0/1 class labels).
• Keeps pchembl_value (if present) and only feature columns starting with fr_ or ERG....
• Drops zero-variance feature columns.
• Creates class where pchembl_value >= 6.5 → 1 else 0.
• Sorts compounds descending by pchembl_value (fallback: class).
• Renders a normalized (0..1) heatmap for the feature matrix.
• Shows the activity column as a separate strip on the left.

Run

From this folder:

python -m pip install -r requirements.txt
streamlit run app.py