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2024-08-05Set identifiers to NA if not initialized, add NEWSRanke Johannes8-260/+203
2024-06-20Fix rdkit availability, prefer user/isomeric SMILESRanke Johannes12-42/+42
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.
2023-11-12Import URLencode from utils, rebuild docsJohannes Ranke4-10/+51
This was caught by pkgdown apparently not loading the utils package by default.
2023-11-12Update to bootstrap 5Johannes Ranke9-479/+404
2023-11-11Fix to the pai documentationJohannes Ranke5-9/+6
2023-11-11Start new version, rename pp to ppp, more docsRanke Johannes8-24/+546
2023-11-10Make an RStudio project and improve the docsRanke Johannes12-1264/+863
2021-11-19Better approach to skip bcpc on travis, update docsJohannes Ranke1-7/+14
2021-11-19Add plot example, update static docsJohannes Ranke12-289/+693
2019-02-19Use rsvg instead of grConvertJohannes Ranke8-9/+9
as grConvert is not on CRAN
2019-02-19Fix exampleJohannes Ranke1-2/+2
2019-02-19Only plot when a Picture object is thereJohannes Ranke2-4/+4
grConvert is not needed for plotting
2019-02-19Skip plotting in examples if grConvert is missingJohannes Ranke2-3/+9
2019-02-19Change package URL to github to get source code linksJohannes Ranke12-217/+406
2018-03-01Rebuild static documentation with current pkdownJohannes Ranke10-145/+313
2017-03-15Some minor cosmetics and pkgdown updateJohannes Ranke1-3/+3
2017-03-06Update pkgdownJohannes Ranke1-1/+1
2017-03-06Switch to pkgdown and link to pkgdown.jrwb.deJohannes Ranke10-0/+1016

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