🌱 The Seeds of the Future Are in the Present

A Blind Exploration of Metastable States

This repository contains the input files and example materials required to reproduce the results presented in the paper:

The seeds of the future are in the present: A blind exploration of metastable states Proceedings of the National Academy of Sciences (PNAS) https://www.pnas.org/doi/10.1073/pnas.2524602123

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📁 Repository Contents

• Input files used to generate the numerical experiments and results reported in the paper.
• An example Jupyter notebook, located in the example/ folder, illustrating how to run a representative simulation on a model potential.

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🚀 Getting Started

At the moment, running the examples in this repository requires the use of the following fork of mlcolvar:

https://github.com/DevergneTimothee/mlcolvar