Metadata-Version: 1.0
Name: pele-platform
Version: 1.1.0
Summary: Automatic platform to launch PELE
Home-page: https://github.com/NostrumBioDiscovery/pele_platform
Author: Daniel Soler
Author-email: daniel.soler@nostrumbiodiscovery.com
License: UNKNOWN
Description: PELE_Platform
        ====================
        
        Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
        
        PELE_Platform Fucntionalities
        =======================================
        
        1) Calculate absoluite free energies with [MSM_PELE](https://github.com/danielSoler93/MSM_PELE)
        2) Run Out-in | Kinase Rescoring | Induce-Fit | Free [Adaptive PELE](https://github.com/AdaptivePELE/AdaptivePELE)
        3) Grow your Ligand with [FRAG_PELE] (https://github.com/danielSoler93/LigandGrowing)
        
        Install
        =====================
        
        pip install pele_platform
        
        
        
Platform: UNKNOWN
