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12 daysImprove test coverage and use testthat 3rd editionHEADmainRanke Johannes6-668/+671
12 daysAdd new files for the transition to README.rmdRanke Johannes43-0/+31469
12 daysMerge remote-tracking branch 'refs/remotes/origin/main'Ranke Johannes1-3/+3
12 daysImprove messages and READMERanke Johannes72-156/+222
12 daysTest on Debian trixieJohannes Ranke2-4/+12
12 daysAdapt to new SMILES names at PubChemRanke Johannes13-66/+77
2024-12-05Fix a bug in the MakefileRanke Johannes1-1/+1
2024-12-02Add @description tags to R6 methodsJohannes Ranke9-79/+67
2024-11-28Merge remote-tracking branch 'refs/remotes/origin/main'Ranke Johannes4-2/+2
2024-11-28Update test logRanke Johannes2-13/+4
2024-11-28Update docsJohannes Ranke4-2/+2
2024-11-28Improve README and example codeRanke Johannes10-31/+43
2024-11-28Installation instructions and badgesRanke Johannes3-4/+37
2024-11-28Update online docsJohannes Ranke21-118/+287
2024-11-28Polish documentation and MakefileRanke Johannes14-632/+287
2024-08-05Fix a bug introduced by the last commitJohannes Ranke3-16/+37
2024-08-05Set identifiers to NA if not initialized, add NEWSRanke Johannes48-459/+10772
2024-07-22Update travis build status badgeRanke Johannes3-10/+2
2024-06-20Use first 27 chars from InChIKey if BCPC returns moreRanke Johannes2-4/+4
2024-06-20Fix rdkit availability, prefer user/isomeric SMILESRanke Johannes178-94/+516
2024-04-07Bump version and dateJohannes Ranke1-2/+2
2024-04-07Try to install python3-rdkit on travisJohannes Ranke1-0/+2
2024-04-07Improve reticulate startup codeJohannes Ranke2-6/+3
2024-04-05Delay loading of the rdkit moduleJohannes Ranke3-21/+26
2023-11-12Import URLencode from utils, rebuild docsJohannes Ranke8-73/+116
2023-11-12Add pkgdown url to DESCRIPTON and _pkgdown.ymlJohannes Ranke8-27/+32
2023-11-12Update to bootstrap 5Johannes Ranke84-695/+11578
2023-11-11Fix to the pai documentationJohannes Ranke8-21/+15
2023-11-11Start new version, rename pp to ppp, more docsRanke Johannes22-166/+982
2023-11-10Make an RStudio project and improve the docsRanke Johannes27-1604/+1364
2023-06-09Update links in READMEJohannes Ranke1-3/+3
2023-06-09Move reticulate to suggestsJohannes Ranke1-3/+3
2022-11-11Update docs, use run.sh on travisJohannes Ranke6-105/+172
2021-11-26Update README after switching to reticulateJohannes Ranke4-7/+7
2021-11-19Better approach to skip bcpc on travis, update docsJohannes Ranke5-11/+30
2021-11-19Don't run pai example on Travis...Johannes Ranke1-1/+1
2021-11-19Skip BCPC for travisJohannes Ranke2-0/+3
2021-11-19Try webchem from my dratJohannes Ranke1-1/+5
2021-11-19Cache packages on TravisJohannes Ranke1-0/+1
2021-11-19Update README after making main the default branchJohannes Ranke2-65/+71
2021-11-19Add plot example, update static docsJohannes Ranke22-347/+1273
2021-11-19Update tests and logsJohannes Ranke6-23/+45
2021-11-18We are on Xenial, no python3-rdkit...Johannes Ranke1-6/+0
2021-11-18Another attempt to get python3-rdkit on TravisJohannes Ranke1-0/+2
2021-11-18Install python3-rdkit on TravisJohannes Ranke1-0/+4
2021-11-18Use reticulate instead of PythonInR, alanwood has movedJohannes Ranke7-84/+118
2020-10-13Adapt to changes in webchemJohannes Ranke6-26/+22
2020-10-13Temporarily remove @example tagsJohannes Ranke10-58/+415
2019-07-15Add chent$emf() function based on devEMFJohannes Ranke3-3/+25
2019-03-20Use shQuote for filename creation in chent$pdf()Johannes Ranke3-3/+18

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