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eiR (version 1.12.2)

Accelerated similarity searching of small molecules

Description

The eiR package provides utilities for accelerated structure similarity searching of very large small molecule data sets using an embedding and indexing approach.

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Version

Version

1.12.2

License

Artistic-2.0

Issues

2

Pull Requests

0

Stars

3

Forks

0

Maintainer

Thomas Girke

Last Published

February 15th, 2017

Functions in eiR (1.12.2)

freeLSHData

Free LSH Data
eiQuery

Perform a query on an embedded database
loadLSHData

Load LSH Data
addTransform

Add Transform
eiMakeDb

Create an embedded database
setDefaultDistance

Set the default distance function for a descriptor type
eiCluster

Cluster compounds
eiAdd

Add new compounds
example_compounds

Example Compounds
eiPerformanceTest

Test the performance of LSH search
eiInit

Initialize a compound database