Commits · 339592fe622ef98bf0daf01a2af608c2b6ab6a6c · Marco De Lucia / RedModRphree

Jun 26, 2021
- Bumping to 0.3.6. Modified RepSol and AddProp · 339592fe
  Marco De Lucia authored 3 years ago
  
  339592fe
May 06, 2021
- Fixed n/nval in Distribute · 8466b872
  Marco De Lucia authored 3 years ago
  
  8466b872
Apr 29, 2021
- Update README.org · afcae1e4
  Marco De Lucia authored 3 years ago
  
  afcae1e4
- Merge branch 'cran' into 'master' · e23f1366
  Marco De Lucia authored 3 years ago
  
  Bumped to 0.3.3; fixed AddProp, removed all references to "ListInfo",... See merge request !2
  e23f1366
- Merge branch 'master' into 'cran' · 0e74fb2f
  Marco De Lucia authored 3 years ago
  
  # Conflicts: # DESCRIPTION
  0e74fb2f
- Bumped to 0.3.4 · 3bf62f22
  Marco De Lucia authored 3 years ago
  
  3bf62f22
- Bumped to 0.3.3; fixed AddProp, removed all references to "ListInfo",... · 968002bb
  Marco De Lucia authored 3 years ago
  
  Bumped to 0.3.3; fixed AddProp, removed all references to "ListInfo", introduced some checks in Pourbaix
  968002bb
Apr 28, 2021
- minor changes in DataBase · 196a22f9
  Marco De Lucia authored 3 years ago
  
  196a22f9
- Removed demo/demo-eq-TrainMultiple.R · 3cf65634
  Marco De Lucia authored 3 years ago
  
  3cf65634
- Fixed demos with imports, out_bal & co in ReactTrans now assigned at the end to GlobalEnv · 88a879aa
  Marco De Lucia authored 3 years ago
  
  88a879aa
- Bumped to 0.3.2 - Added Pourbaix() · 4a6597de
  Marco De Lucia authored 3 years ago
  
  4a6597de
- MDL: fixes for CRAN submission · 0945ecdf
  Marco De Lucia authored 3 years ago
  
  0945ecdf
- MDL: some fixes for CRAN submission · be82c72c
  Marco De Lucia authored 3 years ago
  
  be82c72c
- MDL: some fixes for CRAN submission · 7673975e
  Marco De Lucia authored 3 years ago
  
  7673975e
Apr 12, 2021
- README as orgmode instead of markdown · 199bd108
  Marco De Lucia authored 3 years ago
  
  199bd108
- Added RPinfo/related functions and corresponding man pages · 2f2350b8
  Marco De Lucia authored 3 years ago
  
  2f2350b8
- checking and building · 987ef545
  Marco De Lucia authored 3 years ago
  
  987ef545
- Updated DESCRIPTION · fd398bb7
  Marco De Lucia authored 3 years ago
  
  fd398bb7
Jan 05, 2021
- MDL: cosmetics on demo/demo-gmd2020-445.R · a98a7adc
  Marco De Lucia authored 4 years ago
  
  v0.0.4
  
  a98a7adc
- MDL: bumped to 0.0.4; added demo/demo-gmd2020-445.R · fd2b351d
  Marco De Lucia authored 4 years ago
  
  fd2b351d
- Update README.md · 5ffddf6e
  Marco De Lucia authored 4 years ago
  
  5ffddf6e
- Update README.md · 0e7c2d95
  Marco De Lucia authored 4 years ago
  
  0e7c2d95
- Add LICENSE · 31108e3a
  Marco De Lucia authored 4 years ago
  
  31108e3a
Jan 04, 2021
- MDL: added demo-kin-surr-xgboost.R · e05e265a
  Marco De Lucia authored 4 years ago
  
  e05e265a
Feb 21, 2020
- Update README.md for installation with devtools::install_gitlab() · 3d961987
  Marco De Lucia authored 5 years ago
  
  3d961987
May 08, 2019
- Fixed colnames(state_C) <- colnames(tmpfirstrun) in ReactTrans · aec2b4e3
  Marco De Lucia authored 5 years ago
  
  aec2b4e3
- Fixed colnames(state_C) <- colnames(tmpfirstrun) in ReactTrans · fe1c3ad8
  Marco De Lucia authored 5 years ago
  
  fe1c3ad8
Dec 12, 2018
- Added option "verbose" to splitMulti* to suppress some messages · 6914c303
  Marco De Lucia authored 6 years ago
  
  6914c303
Aug 29, 2018
- demo-eq-surr-RF: commented out saving of the serialized model · a8bd1388
  Marco De Lucia authored 6 years ago
  
  a8bd1388
Aug 27, 2018
- changed parallelization backend to fix bug in demo-eq-surr-RF.R · 6508ec1b
  Marco De Lucia authored 6 years ago
  
  6508ec1b
Aug 15, 2018
- fix RunPQC · 391471d5
  Marco De Lucia authored 6 years ago
  
  391471d5
Jul 02, 2018
- Remove redundant conversion step. · daf983df
  Janis Jatnieks authored 6 years ago
  
  daf983df
- Update Surr_Train.R for safer Residuals export + export of error indexes. · 6caf13b1
  Janis Jatnieks authored 6 years ago
  
  6caf13b1
- Update Surr_Train.R to specifically export error indexes. · e6aba3c1
  Janis Jatnieks authored 6 years ago
  
  e6aba3c1
- Merge branch 'patch-1' into 'master' · 732eb5e8
  Marco De Lucia authored 6 years ago
  
  Update Surr_Train.R to fix an incorrect length of Residuals columns being… See merge request !1
  732eb5e8
- Update Surr_Train.R to fix an incorrect length of Residuals columns being... · 2a5a7f85
  Janis Jatnieks authored 6 years ago
  
  Update Surr_Train.R to fix an incorrect length of Residuals columns being exported. The problem was caused by NAs being filled in a wrong lentgh using nrow(Fout) instead of validation dataset length as it should have been using nrow(SRes).
  2a5a7f85
Jun 30, 2018
- Fixed dumping Fin/Fout · d49649bc
  Marco De Lucia authored 6 years ago
  
  d49649bc
May 24, 2018
- fixed RunPQC adding optional "second" · 5e95b130
  Marco De Lucia authored 6 years ago
  
  5e95b130
May 18, 2018
- parallelization in ReactTrans* should now be platform-independent · 17a22ea8
  Marco De Lucia authored 6 years ago
  
  17a22ea8
May 17, 2018
- migration to doParallel in ReactTrans and Kinetics · 7410300f
  Marco De Lucia authored 6 years ago
  
  7410300f