GitHub - bigginlab/PyCEC: PyCEC

A Python implementation of the Center of Excess Charge (CEC) collective variable.

Name		Name	Last commit message	Last commit date
Latest commit History 27 Commits
.github/workflows		.github/workflows
PyCEC		PyCEC
docs		docs
simulations/pept_AF_H87P_D342P		simulations/pept_AF_H87P_D342P
tests		tests
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
setup.py		setup.py

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