Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method development or to deepen understanding of a broad spectrum of modeling methods, from basic sampling techniques to enhanced sampling and free energy calculations. It is easy to install, fast, increases shareability, comparability, and reproducibility of scientific code developments.
left panel: It should be indicated that the potential energy is in units of k_BT
middle panel: y-axis is currently labled with "simulation". Correct default label could be e.g. "probability density" or "frequency"
right panel: y-label "dhdpos" is not descriptive. Better label needed.
RiesBen
commented
4 years ago
left panel: It should be indicated that the potential energy is in units of k_BT middle panel: y-axis is currently labled with "simulation". Correct default label could be e.g. "probability density" or "frequency" right panel: y-label "dhdpos" is not descriptive. Better label needed.