Dataset Open Access
Ghahremanpour, Mohammad Mehdi; van Maaren, Paul; van der Spoel, David
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.
Name | Size | |
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AlexandriaLib.tar.gz
md5:8b4404d3c0a7894b3e1b4432b5579937 |
2.9 GB | Download |
All versions | This version | |
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Views | 3,893 | 1,410 |
Downloads | 456 | 321 |
Data volume | 1.3 TB | 916.2 GB |
Unique views | 3,645 | 1,322 |
Unique downloads | 331 | 254 |