| Age | Commit message (Collapse) | Author | Files | Lines | |
|---|---|---|---|---|---|
| 2025-10-22 | Improve messages and README | Ranke Johannes | 1 | -0/+8 | |
| Use README.rmd in order to be able to include demo code and output in the README. | |||||
| 2024-08-05 | Set identifiers to NA if not initialized, add NEWS | Ranke Johannes | 1 | -2/+0 | |
| 2024-06-20 | Fix rdkit availability, prefer user/isomeric SMILES | Ranke Johannes | 1 | -4/+4 | |
| 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 | Update to bootstrap 5 | Johannes Ranke | 1 | -62/+110 | |
| 2023-11-10 | Make an RStudio project and improve the docs | Ranke Johannes | 1 | -2/+2 | |
| 2021-11-19 | Add plot example, update static docs | Johannes Ranke | 1 | -11/+4 | |
| 2019-02-19 | Change package URL to github to get source code links | Johannes Ranke | 1 | -72/+93 | |
| 2018-03-01 | Rebuild static documentation with current pkdown | Johannes Ranke | 1 | -1/+87 | |
| 2017-03-06 | Switch to pkgdown and link to pkgdown.jrwb.de | Johannes Ranke | 1 | -0/+8 | |
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index : chents | |
| Chemical entities as R objects (also on github) | Johannes Ranke |
| summaryrefslogtreecommitdiff |