Molecular Property Diagnostic Suite

MPDS (Molecular Property Diagnostic Suite) is a workflow system to facilitate drug discovery activities. As of now MPDS

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1.0 consists of following modules:

1. Compound Library (compiled from all publicly available compound datasets)

2. Docking

3. Descriptor Calculation


5. Drug-like filters

6. Fragment Library

7. Visualization

8. File format converters

This is a collaborative project in which nine labs are participating. The workflow engine may be accessed at

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