chents - Chemical entities as R objects (also on github)

Age	Commit message (Collapse)	Author	Files	Lines
2025-10-22	Improve messages and README	Ranke Johannes	1	-3/+3
	Use README.rmd in order to be able to include demo code and output in the README.
2024-12-02	Add @description tags to R6 methods	Johannes Ranke	1	-1/+1
	Otherwise, the descriptions of the methods get mixed up
2024-11-28	Update docs	Johannes Ranke	1	-2/+2

2024-11-28	Improve README and example code	Ranke Johannes	1	-2/+2

2024-11-28	Update online docs	Johannes Ranke	1	-2/+2

2024-08-05	Set identifiers to NA if not initialized, add NEWS	Ranke Johannes	1	-3/+2

2024-06-20	Fix rdkit availability, prefer user/isomeric SMILES	Ranke Johannes	1	-3/+3
	In cases that the user specifies an isomeric SMILES, we want to use that with rdkit. If the user does not specify a SMILES, we prefer the isomeric one from PubChem over the canonical one, where stereochemistry is not defined.
2023-11-12	Import URLencode from utils, rebuild docs	Johannes Ranke	1	-1/+1
	This was caught by pkgdown apparently not loading the utils package by default.
2023-11-12	Add pkgdown url to DESCRIPTON and _pkgdown.yml	Johannes Ranke	1	-1/+4

2023-11-12	Update to bootstrap 5	Johannes Ranke	1	-1/+1

2023-11-11	Fix to the pai documentation	Johannes Ranke	1	-2/+2

2023-11-11	Start new version, rename pp to ppp, more docs	Ranke Johannes	1	-1/+1

2023-11-10	Make an RStudio project and improve the docs	Ranke Johannes	1	-3/+3

2021-11-26	Update README after switching to reticulate	Johannes Ranke	1	-1/+1

2021-11-19	Better approach to skip bcpc on travis, update docs	Johannes Ranke	1	-1/+1

2021-11-19	Add plot example, update static docs	Johannes Ranke	1	-3/+4

2019-02-19	Change package URL to github to get source code links	Johannes Ranke	1	-0/+5