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IFMlab / ChemFlow Public

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Benchmarks with the DUD E

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Cédric Bouysset edited this page Aug 20, 2017 · 1 revision

Benchmarks with the DUD-E

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
- Benchmarks with the DUD-E
Common behaviour
ConfigFlow
DockFlow
DockFlow2
Getting started
LigFlow
Mazinger
MDFlow
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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