Files in nanxstats/tidychem
Tidy Chemical Data
.Rbuildignore
.github/.gitignore
.github/workflows/R-CMD-check.yaml
.github/workflows/pkgdown.yaml
.gitignore
DESCRIPTION
LICENSE
LICENSE.md
NAMESPACE
NEWS.md
R/desc-utils.R
R/desc.R
R/fp-utils.R
R/fp.R
R/install.R
R/is_installed.R
R/package.R
R/parse.R
R/print.R
R/read.R
R/sim-utils.R
R/sim.R
R/utils.R
R/zzz.R
README.md
_pkgdown.yml
inst/extdata/5ht3ligs.sdf
inst/extdata/MinimalFeatures.fdef
inst/extdata/logd74.tsv
inst/extdata/single.mol
inst/extdata/smi-multiple-noname.smi
inst/extdata/smi-multiple.smi
inst/extdata/smi-single-noname.smi
inst/extdata/smi-single.smi
inst/logo/logo.R
man/desc_2d.Rd
man/desc_3d.Rd
man/figures/logo.png
man/figures/tidychem-workflow.png
man/fp_atompair.Rd
man/fp_erg.Rd
man/fp_maccs.Rd
man/fp_morgan.Rd
man/fp_pattern.Rd
man/fp_pharm2d.Rd
man/fp_rdkit.Rd
man/fp_torsion.Rd
man/get_alldesc_2d.Rd
man/install_rdkit.Rd
man/is_installed_rdkit.Rd
man/parse_sdf.Rd
man/parse_smiles.Rd
man/print.tidydesc.Rd
man/print.tidyfps.Rd
man/print.tidymol.Rd
man/rdkit.Rd
man/rdkit_version.Rd
man/read_sdf.Rd
man/read_smiles.Rd
man/sim.Rd
man/tidychem-package.Rd
man/tidychem_example.Rd
pkgdown/favicon/apple-touch-icon-120x120.png
pkgdown/favicon/apple-touch-icon-152x152.png
pkgdown/favicon/apple-touch-icon-180x180.png
pkgdown/favicon/apple-touch-icon-60x60.png
pkgdown/favicon/apple-touch-icon-76x76.png
pkgdown/favicon/apple-touch-icon.png
pkgdown/favicon/favicon-16x16.png
pkgdown/favicon/favicon-32x32.png
pkgdown/favicon/favicon.ico
tidychem.Rproj
vignettes/custom.css
vignettes/tidychem.Rmd
