Automatic platform to launch PELE
Project description
PELE_Platform
Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
PELE_Platform Fucntionalities
Calculate absoluite free energies with [MSM_PELE](https://github.com/danielSoler93/MSM_PELE)
Run Out-in | Kinase Rescoring | Induce-Fit | Free [Adaptive PELE](https://github.com/AdaptivePELE/AdaptivePELE)
Grow your Ligand with [FRAG_PELE] (https://github.com/danielSoler93/LigandGrowing)
Install
pip install pele_platform
Release history Release notifications | RSS feed
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Source Distribution
pele_platform-1.0.0.2.tar.gz
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