Monte Carlo Simulation to dissolve a molecule in a mixture of other molecules
Project description
monte-solver
Monte Carlo dissolver.
Why
Studying molecules in solution is super interesting.
What
It is a module to automatically prepare sample mixtures for solutions in e.g. gas phase or liquid phase from multiple molecules according to defined concentration
OpenMM
Installing OpenMM from PyPi is nice to avoid conda, but you need to have numpy<2 installed. In case of errors, you may run:
pip install "numpy<2"
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