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  1. pysisyphus pysisyphus Public

    Forked from eljost/pysisyphus

    Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.

    Python

  2. pyberny pyberny Public

    Forked from jhrmnn/pyberny

    Molecular structure optimizer

    Python

  3. sella sella Public

    Forked from zadorlab/sella

    A Python software package for saddle point optimization and minimization of atomic systems.

    Python