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

Age	Commit message (Collapse)	Author	Files	Lines
2024-06-20	Fix rdkit availability, prefer user/isomeric SMILES	Ranke Johannes	1	-1/+1
	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.
2024-04-07	Improve reticulate startup code	Johannes Ranke	1	-5/+3

2024-04-05	Delay loading of the rdkit module	Johannes Ranke	1	-1/+3
	According to the recommendation found here: https://rstudio.github.io/reticulate/articles/package.html#delay-loading-python-modules
2021-11-19	Update tests and logs	Johannes Ranke	1	-8/+4

2021-11-18	Use reticulate instead of PythonInR, alanwood has moved	Johannes Ranke	1	-0/+13
	Because the pesticide compendium at alanwood.net has moved to bcpc.org, we need to depend on a development branch of webchem at the moment.