# ai-enhanced-lead-optimization-workflow

**Repository Path**: mirrors_ibm/ai-enhanced-lead-optimization-workflow

## Basic Information

- **Project Name**: ai-enhanced-lead-optimization-workflow
- **Description**: A workflow that combines molecular dynamics simulation  and machine learning on data generated from the simulation to provide ranking of optimizable moieties in the drug molecule.
- **Primary Language**: Unknown
- **License**: Apache-2.0
- **Default Branch**: main
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2021-01-28
- **Last Updated**: 2025-09-14

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# ai-enhanced-lead-optimization-workflow
A workflow that combines molecular dynamics simulation  and machine learning on data generated from the simulation to provide ranking of optimizable moieties in the drug molecule.