/tools/GSCDB

GSCDB

JiashuLiang/GSCDB

31 stars6 forksRoffAdded February 5, 2026
summary

GSCDB is a comprehensive benchmark database containing 137 datasets with detailed molecular properties such as reaction energies and barrier heights. It serves as a platform for validating density functional approximations and supports the development of machine-learned functionals in computational chemistry.

description

Gold-Standard Chemical Database 138 (GSCDB138)

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