/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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