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Data used for testing overreact. Includes data related to a manuscript in preparation.

Home Page: https://geem-lab.github.io/overreact-guide/

chemistry computational-chemistry computational-chemistry-logfiles compchem thermochemistry rrho quasi-harmonic quasi-harmonic-approximation vibrational-entropies chemical-kinetics

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overreact-data's Issues

Organize and separately document each data set

Data sets are currently spread out across strangely named folders without any reference to where data points came from, etc.. We need:

  • proper folder names,
  • separate README.md files for each folder,
  • references on the origin of each data points.

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