bachi55/rcdkTools: rcdkTools
Set of wrappers around rcdk-package functions. For examples, this package performs atom configuration specific for each molecular fingerprint prior their calculation. Same holds for molecular descriptors. It also provides functionality to store fingerprints and descriptors into a matrix, cvs-file respectively as json-file.
Getting started
Browse package contents
Package details |
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| Author | person("Eric", "Bach", email = "eric.bach@aalto.fi", role = c("aut", "cre")) |
| Maintainer | Eric Bach <eric.bach@aalto.fi> |
| License | MIT |
| Version | 0.3.2 |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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