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1. asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computationally costly operations can be performed locally or submi…

   Python 20 4

2. aimmd (AI for Molecular Mechanism Discovery) autonomously steers (a large number of) molecular dynamics simulations to efficiently sample and understand rare transition events.

   Python 21 2

3. An open source Python framework for transition interface and path sampling calculations.

   Python 116 50