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1. rodeo rodeo Public

   Python library showcasing transition-state theory algorithms

   Python 2 1

2. licn-potential licn-potential Public

   Implementation of the LiCN ⇌ LiNC isomerization potential surface based on Essers et al. (1982)

   Python 1

3. mfptlib mfptlib Public

   Python library with C++ backend for the calculation of mean first-passage times using (generalized) Langevin dynamics

   C++