Alexandria Library
收藏NIAID Data Ecosystem2026-03-13 收录
下载链接：
https://zenodo.org/record/1004710
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资源简介：
The Alexandria library is as an open access quantum-chemical database
of molecular optimized geometries, frequencies, thermochemistry, polarizability and molecular electric moments
for organic and inorganic molecules. The name
Alexandria highlights that we aim to collect all
knowledge in the world, old and new, on molecular properties, just
like the legendary library of Alexandria, since availability of data rapidly declines with time.This library will assist systematic development and training of empirical
force fields for a broad range of molecules.
创建时间：
2022-03-17
