SHNITSEL is a curated platform for to support the entire lifecycle of surface hopping data upon data generation, namely data collection, management, storage, processing, analysis and visualization.
 ... is a compilation of surface hopping datasets that offers high-quality quantum chemical data (e.g. energies, forces, nonadiabatic couplings) of photochemical reactions; ideal for benchmarking and machine learning applications. |
 ... is an integrated Python software package for the streamlined collection, managment, processing, analysis and visualization of surface hopping data. |
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Contributions welcome!