Automatic platform to launch PELE simulations
Project description
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
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Source Distribution
pele_platform-1.6.4.tar.gz
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