Python package for commonly used molecular simulation functions.
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Updated
Sep 29, 2021 - C
Python package for commonly used molecular simulation functions.
A simplified implementation of Effective Fragment Potential (EFP) is provided, considering only the electrostatic and induction terms. Significant mathematical assistance was obtained from https://github.com/ilyak/libefp.
course project for HPPC
Molecular simulator for proteins that uses Go-type potentials
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