gabrii / pele_platform

Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]

PELE_Platform

Pele platform is a python module to automatically launch PELE, AdaptivePELE, MSMPELE and FragPELE. It is built as a python layer on top of all PELE functionalities that can be used as a backend for a potential future GUI.

PELE_Platform Functionalities

Automatically prepare and launch PELE & FragPELE input

Install

https://nostrumbiodiscovery.github.io/pele_platform/installation/index.html

Get Started

https://nostrumbiodiscovery.github.io/pele_platform/tutorial/index.html

Documentation of the input parameters

https://nostrumbiodiscovery.github.io/pele_platform/documentation/index.html

What's new

https://nostrumbiodiscovery.github.io/pele_platform/changelog/index.html