| Age | Commit message (Collapse) | Author | Files | Lines | |
|---|---|---|---|---|---|
| 2024-06-20 | Fix rdkit availability, prefer user/isomeric SMILES | Ranke Johannes | 174 | -89/+490 | |
| 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 | 6 | -12/+53 | |
| 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 | 6 | -26/+29 | |
| 2023-11-12 | Update to bootstrap 5 | Johannes Ranke | 83 | -695/+11577 | |
| 2023-11-11 | Fix to the pai documentation | Johannes Ranke | 6 | -11/+8 | |
| 2023-11-11 | Start new version, rename pp to ppp, more docs | Ranke Johannes | 13 | -30/+555 | |
| 2023-11-10 | Make an RStudio project and improve the docs | Ranke Johannes | 19 | -1512/+1073 | |
| 2021-11-26 | Update README after switching to reticulate | Johannes Ranke | 2 | -2/+2 | |
| 2021-11-19 | Better approach to skip bcpc on travis, update docs | Johannes Ranke | 3 | -10/+17 | |
| 2021-11-19 | Add plot example, update static docs | Johannes Ranke | 20 | -347/+1260 | |
| 2019-02-21 | Use codecov and update docs | Johannes Ranke | 1 | -0/+1 | |
| 2019-02-19 | Use rsvg instead of grConvert | Johannes Ranke | 10 | -11/+11 | |
| as grConvert is not on CRAN | |||||
| 2019-02-19 | Fix example | Johannes Ranke | 1 | -2/+2 | |
| 2019-02-19 | Only plot when a Picture object is there | Johannes Ranke | 2 | -4/+4 | |
| grConvert is not needed for plotting | |||||
| 2019-02-19 | Skip plotting in examples if grConvert is missing | Johannes Ranke | 3 | -17/+22 | |
| 2019-02-19 | Change package URL to github to get source code links | Johannes Ranke | 20 | -352/+879 | |
| 2018-03-01 | Rebuild static documentation with current pkdown | Johannes Ranke | 14 | -180/+541 | |
| 2017-03-15 | Some minor cosmetics and pkgdown update | Johannes Ranke | 1 | -3/+3 | |
| 2017-03-06 | Correct link to the reference on pkgdown.jrwb.de | Johannes Ranke | 1 | -1/+1 | |
| 2017-03-06 | Type on README | Johannes Ranke | 1 | -1/+1 | |
| 2017-03-06 | Delete leftovers from staticdocs, rerun pkgdown | Johannes Ranke | 20 | -8638/+0 | |
| 2017-03-06 | Update pkgdown | Johannes Ranke | 2 | -2/+2 | |
| 2017-03-06 | Switch to pkgdown and link to pkgdown.jrwb.de | Johannes Ranke | 16 | -78/+1327 | |
| 2016-09-27 | Add a bit of info to README | Johannes Ranke | 1 | -0/+14 | |
| 2016-09-27 | Add pp to the list of classes for staticdocs | Johannes Ranke | 1 | -3/+3 | |
| 2016-09-27 | Add staticdocs | Johannes Ranke | 21 | -0/+8728 | |
 |
index : chents | |
| Chemical entities as R objects (also on github) | Johannes Ranke |
| aboutsummaryrefslogtreecommitdiff |