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Automatic platform to launch PELE simulations

Project description

MIT license GitHub release PyPI release Conda release Code Coverage

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


Get Started

Documentation of the input parameters

What’s new

Project details

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Source Distribution

pele_platform-1.6.4.tar.gz (12.3 MB view hashes)

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