eiR: Accelerated similarity searching of small molecules

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

AuthorKevin Horan, Yiqun Cao and Tyler Backman
Date of publicationNone
MaintainerThomas Girke <thomas.girke@ucr.edu>
LicenseArtistic-2.0
Version1.14.1
https://github.com/girke-lab/eiR

View on Bioconductor

Files in this package

eiR/.BBSoptions
eiR/DESCRIPTION
eiR/INSTALL
eiR/LICENSE
eiR/NAMESPACE
eiR/R
eiR/R/core.R eiR/R/db.R eiR/R/eiR.R eiR/R/evaluations.R eiR/R/measures.R
eiR/README.md
eiR/build
eiR/build/vignette.rds
eiR/cleanup
eiR/data
eiR/data/example_compounds.RData
eiR/inst
eiR/inst/CITATION
eiR/inst/NEWS.Rd
eiR/inst/doc
eiR/inst/doc/eiR.R
eiR/inst/doc/eiR.Rmd
eiR/inst/doc/eiR.html
eiR/inst/schema
eiR/inst/schema/data.RPostgreSQL
eiR/inst/schema/data.SQLite
eiR/inst/unitTests
eiR/inst/unitTests/test_main.R
eiR/man
eiR/man/addTransform.Rd eiR/man/eiAdd.Rd eiR/man/eiCluster.Rd eiR/man/eiInit.Rd eiR/man/eiMakeDb.Rd eiR/man/eiPerformanceTest.Rd eiR/man/eiQuery.Rd eiR/man/example_compounds.Rd eiR/man/freeLSHData.Rd eiR/man/loadLSHData.Rd eiR/man/setDefaultDistance.Rd
eiR/src
eiR/src/Makevars
eiR/src/Makevars.win
eiR/src/apost.cpp
eiR/src/char_bit_cnt.cpp
eiR/src/config.h
eiR/src/embedCoords.cc
eiR/src/eucsearch.cc
eiR/src/eucsearch.h
eiR/src/f2c
eiR/src/f2c.h
eiR/src/f2c/Makefile
eiR/src/f2c/Notice
eiR/src/f2c/README
eiR/src/f2c/a.out.dSYM
eiR/src/f2c/a.out.dSYM/Contents
eiR/src/f2c/a.out.dSYM/Contents/Resources
eiR/src/f2c/a.out.dSYM/Contents/Resources/DWARF
eiR/src/f2c/abort_.c
eiR/src/f2c/arithchk.c
eiR/src/f2c/backspac.c
eiR/src/f2c/c_abs.c
eiR/src/f2c/c_cos.c
eiR/src/f2c/c_div.c
eiR/src/f2c/c_exp.c
eiR/src/f2c/c_log.c
eiR/src/f2c/c_sin.c
eiR/src/f2c/c_sqrt.c
eiR/src/f2c/cabs.c
eiR/src/f2c/close.c
eiR/src/f2c/comptry.bat
eiR/src/f2c/ctype.c
eiR/src/f2c/ctype.h
eiR/src/f2c/d_abs.c
eiR/src/f2c/d_acos.c
eiR/src/f2c/d_asin.c
eiR/src/f2c/d_atan.c
eiR/src/f2c/d_atn2.c
eiR/src/f2c/d_cnjg.c
eiR/src/f2c/d_cos.c
eiR/src/f2c/d_cosh.c
eiR/src/f2c/d_dim.c
eiR/src/f2c/d_exp.c
eiR/src/f2c/d_imag.c
eiR/src/f2c/d_int.c
eiR/src/f2c/d_lg10.c
eiR/src/f2c/d_log.c
eiR/src/f2c/d_mod.c
eiR/src/f2c/d_nint.c
eiR/src/f2c/d_prod.c
eiR/src/f2c/d_sign.c
eiR/src/f2c/d_sin.c
eiR/src/f2c/d_sinh.c
eiR/src/f2c/d_sqrt.c
eiR/src/f2c/d_tan.c
eiR/src/f2c/d_tanh.c
eiR/src/f2c/derf_.c
eiR/src/f2c/derfc_.c
eiR/src/f2c/dfe.c
eiR/src/f2c/dolio.c
eiR/src/f2c/dtime_.c
eiR/src/f2c/due.c
eiR/src/f2c/ef1asc_.c
eiR/src/f2c/ef1cmc_.c
eiR/src/f2c/endfile.c
eiR/src/f2c/erf_.c
eiR/src/f2c/erfc_.c
eiR/src/f2c/err.c
eiR/src/f2c/etime_.c
eiR/src/f2c/exit_.c
eiR/src/f2c/f2c.h
eiR/src/f2c/f2c.h0
eiR/src/f2c/f2ch.add
eiR/src/f2c/f77_aloc.c
eiR/src/f2c/f77vers.c
eiR/src/f2c/fio.h
eiR/src/f2c/fmt.c
eiR/src/f2c/fmt.h
eiR/src/f2c/fmtlib.c
eiR/src/f2c/fp.h
eiR/src/f2c/ftell64_.c
eiR/src/f2c/ftell_.c
eiR/src/f2c/getarg_.c
eiR/src/f2c/getenv_.c
eiR/src/f2c/h_abs.c
eiR/src/f2c/h_dim.c
eiR/src/f2c/h_dnnt.c
eiR/src/f2c/h_indx.c
eiR/src/f2c/h_len.c
eiR/src/f2c/h_mod.c
eiR/src/f2c/h_nint.c
eiR/src/f2c/h_sign.c
eiR/src/f2c/hl_ge.c
eiR/src/f2c/hl_gt.c
eiR/src/f2c/hl_le.c
eiR/src/f2c/hl_lt.c
eiR/src/f2c/i77vers.c
eiR/src/f2c/i_abs.c
eiR/src/f2c/i_dim.c
eiR/src/f2c/i_dnnt.c
eiR/src/f2c/i_indx.c
eiR/src/f2c/i_len.c
eiR/src/f2c/i_mod.c
eiR/src/f2c/i_nint.c
eiR/src/f2c/i_sign.c
eiR/src/f2c/iargc_.c
eiR/src/f2c/iio.c
eiR/src/f2c/ilnw.c
eiR/src/f2c/inquire.c
eiR/src/f2c/l_ge.c
eiR/src/f2c/l_gt.c
eiR/src/f2c/l_le.c
eiR/src/f2c/l_lt.c
eiR/src/f2c/lbitbits.c
eiR/src/f2c/lbitshft.c
eiR/src/f2c/lio.h
eiR/src/f2c/lread.c
eiR/src/f2c/lwrite.c
eiR/src/f2c/main.c
eiR/src/f2c/makefile.sy
eiR/src/f2c/makefile.u
eiR/src/f2c/makefile.vc
eiR/src/f2c/makefile.wat
eiR/src/f2c/math.hvc
eiR/src/f2c/mkfile.plan9
eiR/src/f2c/open.c
eiR/src/f2c/pow_ci.c
eiR/src/f2c/pow_dd.c
eiR/src/f2c/pow_di.c
eiR/src/f2c/pow_hh.c
eiR/src/f2c/pow_ii.c
eiR/src/f2c/pow_qq.c
eiR/src/f2c/pow_ri.c
eiR/src/f2c/pow_zi.c
eiR/src/f2c/pow_zz.c
eiR/src/f2c/qbitbits.c
eiR/src/f2c/qbitshft.c
eiR/src/f2c/r_abs.c
eiR/src/f2c/r_acos.c
eiR/src/f2c/r_asin.c
eiR/src/f2c/r_atan.c
eiR/src/f2c/r_atn2.c
eiR/src/f2c/r_cnjg.c
eiR/src/f2c/r_cos.c
eiR/src/f2c/r_cosh.c
eiR/src/f2c/r_dim.c
eiR/src/f2c/r_exp.c
eiR/src/f2c/r_imag.c
eiR/src/f2c/r_int.c
eiR/src/f2c/r_lg10.c
eiR/src/f2c/r_log.c
eiR/src/f2c/r_mod.c
eiR/src/f2c/r_nint.c
eiR/src/f2c/r_sign.c
eiR/src/f2c/r_sin.c
eiR/src/f2c/r_sinh.c
eiR/src/f2c/r_sqrt.c
eiR/src/f2c/r_tan.c
eiR/src/f2c/r_tanh.c
eiR/src/f2c/rawio.h
eiR/src/f2c/rdfmt.c
eiR/src/f2c/rewind.c
eiR/src/f2c/rsfe.c
eiR/src/f2c/rsli.c
eiR/src/f2c/rsne.c
eiR/src/f2c/s_cat.c
eiR/src/f2c/s_cmp.c
eiR/src/f2c/s_copy.c
eiR/src/f2c/s_paus.c
eiR/src/f2c/s_rnge.c
eiR/src/f2c/s_stop.c
eiR/src/f2c/scomptry.bat
eiR/src/f2c/sfe.c
eiR/src/f2c/sig_die.c
eiR/src/f2c/signal1.h0
eiR/src/f2c/signal_.c
eiR/src/f2c/signbit.c
eiR/src/f2c/sue.c
eiR/src/f2c/sysdep1.h0
eiR/src/f2c/system_.c
eiR/src/f2c/typesize.c
eiR/src/f2c/uio.c
eiR/src/f2c/uninit.c
eiR/src/f2c/util.c
eiR/src/f2c/wref.c
eiR/src/f2c/wrtfmt.c
eiR/src/f2c/wsfe.c
eiR/src/f2c/wsle.c
eiR/src/f2c/wsne.c
eiR/src/f2c/xsum0.out
eiR/src/f2c/xwsne.c
eiR/src/f2c/z_abs.c
eiR/src/f2c/z_cos.c
eiR/src/f2c/z_div.c
eiR/src/f2c/z_exp.c
eiR/src/f2c/z_log.c
eiR/src/f2c/z_sin.c
eiR/src/f2c/z_sqrt.c
eiR/src/format.cc
eiR/src/include
eiR/src/include/lshkit
eiR/src/include/lshkit.h
eiR/src/include/lshkit/adaptor.h
eiR/src/include/lshkit/apost.h
eiR/src/include/lshkit/archive.h
eiR/src/include/lshkit/common.h
eiR/src/include/lshkit/composite.h
eiR/src/include/lshkit/concept.h
eiR/src/include/lshkit/eval.h
eiR/src/include/lshkit/forest.h
eiR/src/include/lshkit/histogram.h
eiR/src/include/lshkit/kernel.h
eiR/src/include/lshkit/lsh-file.h
eiR/src/include/lshkit/lsh-index.h
eiR/src/include/lshkit/lsh.h
eiR/src/include/lshkit/matrix-io.h
eiR/src/include/lshkit/matrix.h
eiR/src/include/lshkit/metric.h
eiR/src/include/lshkit/mplsh-file.h
eiR/src/include/lshkit/mplsh-model.h
eiR/src/include/lshkit/mplsh.h
eiR/src/include/lshkit/sketch.h
eiR/src/include/lshkit/spectral-hash.h
eiR/src/include/lshkit/storage.h
eiR/src/include/lshkit/topk.h
eiR/src/include/lshkit/tune.h
eiR/src/include/lshkit/vq.h
eiR/src/mplsh-model.cpp
eiR/src/mplsh.cpp
eiR/src/profiling.cc
eiR/src/profiling.h
eiR/src/r_wrap.cpp
eiR/src/recordfile.cc
eiR/src/routines.c
eiR/src/scan.cc
eiR/src/search_r.cpp
eiR/src/solver.cc
eiR/src/solver.h
eiR/tests
eiR/tests/runTests.R
eiR/tmp
eiR/tmp/data
eiR/tmp/fp_test
eiR/tmp/fp_test/data
eiR/tmp/run-50-40
eiR/vignettes
eiR/vignettes/Makefile_bootstrap
eiR/vignettes/eiR.Rmd
eiR/vignettes/eiR.Rmd_bootstrap
eiR/vignettes/header.html
eiR/vignettes/html.template_bootstrap
eiR/vignettes/references.bib

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

All documentation is copyright its authors; we didn't write any of that.