/tools/tftraj
tftraj
mdtraj/tftraj
37 stars7 forksC++Added February 8, 2026
summary
TFTraj is a tool for analyzing molecular dynamics trajectories using TensorFlow, specifically implementing routines for calculating root-mean-square deviation (RMSD). It includes benchmarks for performance comparison with other methods, making it useful for researchers in molecular simulations.
description
Molecular dynamics trajectory analysis in Tensorflow
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