| Age | Commit message (Collapse) | Author | Files | Lines | |
|---|---|---|---|---|---|
| 2024-12-02 | Add @description tags to R6 methodsHEADmain | 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 | |
 |
index : chents | |
| Chemical entities as R objects (also on github) | Johannes Ranke |
| summaryrefslogtreecommitdiff |