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IFMlab / ChemFlow Public

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MDFlow

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Cédric Bouysset edited this page Aug 24, 2017 · 2 revisions

Description

Usage

Results

FAQ

Toggle table of contents Pages 22

Home
Adding a new docking program
Adding a new notebook
Adding a new scoring function
AffinityFlow
Benchmarks with the DUD E
Common behaviour
ConfigFlow
DockFlow
DockFlow2
Getting started
LigFlow
Mazinger
MDFlow
- Description
- Usage
- Results
- FAQ
References
ReportFlow
RMSDFlow
ScoreFlow
ScoreFlow2
Softwares version
splitmol
Virtual Screening

🏠 Home

✍️ References

⌨️ Softwares

📃 Documentation

DockFlow (old)
DockFlow2
ScoreFlow
ReportFlow
MDFlow
AffinityFlow

💼 Tools

ConfigFlow
LigFlow
RMSDFlow
splitmol

✏️ Tutorials

Getting started
Benchmarks with DUD-E
Virtual Screening

🔧 Code maintenance

Common to all workflows
DockFlow : adding a new docking program
ScoreFlow : adding a new scoring function
ReportFlow : adding a new notebook
Mazinger : modifying the PBS parameters

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