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1. confined-water-analysis confined-water-analysis Public

   Scripts to analyse MD trajectories of pure water as well as confined in nanotubes or by flat sheets (graphene, hBN)

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2. graphene-analysis graphene-analysis Public

   Package to analyse global and local structure of pristine and defective graphene.

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3. trajcast_dev trajcast_dev Public

   Forked from IBM/trajcast

   TrajCast: Force-Free MD Through Autoregressive Equivariant Networks

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