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This repository contains input files, compile scripts, and an example notebook to train the DeepTDA CVs for the manuscript "Effective Data-Driven Collective Variables from Metadynamics of Paths"

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MoP-DeepTDA

This repository contains input files, compile scripts and example code for the Manuscript

Effective Data-Driven Collective Variables from Metadynamics of Paths Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli [https://arxiv.org/abs/2311.05571]

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This repository contains input files, compile scripts, and an example notebook to train the DeepTDA CVs for the manuscript "Effective Data-Driven Collective Variables from Metadynamics of Paths"

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