Enantiomeric Calculations App

This Streamlit app performs various enantiomeric and diastereomeric calculations.

Features

• EE to ΔΔG: Convert Enantiomeric Excess (EE) to Free Energy Difference (ΔΔG).
• ΔΔG to EE: Convert Free Energy Difference (ΔΔG) to Enantiomeric Excess (EE).
• ER to ΔΔG: Convert Enantiomeric Ratio (ER) to Free Energy Difference (ΔΔG).
• EE to ER: Convert Enantiomeric Excess (EE) to Enantiomeric Ratio (ER).
• ER to EE: Convert Enantiomeric Ratio (ER) to Enantiomeric Excess (EE).
• Recover Temperature: Recover temperature based on EE and ΔΔG values.

How to Run

1. Install the required packages:

   pip install streamlit numpy

2. Run the Streamlit app:

   streamlit run ee_streamlit.py

Try it on Streamlit

Follow this Link to access an online version of the app.