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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
1.12.2
1.12.1
1.10.0
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Version
1.12.2
License
Artistic-2.0
Issues
2
Pull Requests
0
Stars
3
Forks
0
Repository
https://github.com/girke-lab/eiR
Maintainer
Thomas Girke
Last Published
January 4th, 2016
Functions in eiR (1.12.2)
Search functions
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