MolSSI/QCArchiveWebapps

Issues

• RDS: open links in a new window/tab

  #60 opened 5 years ago by doaa-altarawy
  6

• RDS: show benchmark level of theory

  #58 opened 5 years ago by mattwelborn
  0

• text change recc.

  #64 opened 5 years ago by loriab
  0

• suggest a data-available modelchem

  #65 opened 5 years ago by loriab
  1

• RDS: some rxn geometries cause an error

  #59 opened 5 years ago by mattwelborn
  0

• TTS: Display list of available methods

  #39 opened 5 years ago by mattwelborn
  1

• RDS: Display description and DOI for datasets

  #12 opened 5 years ago by mattwelborn
  3

• RDS: rerun failed columns

  #22 opened 5 years ago by mattwelborn
  1

• Contact Information

  #54 opened 5 years ago by dgasmith
  0

• RDS: sort basis sets by size

  #52 opened 5 years ago by mattwelborn
  0

• RDS: notify user if a requested method/basis combination is not available

  #15 opened 5 years ago by mattwelborn
  1

• RDS: caching seems to not work

  #36 opened 5 years ago by mattwelborn
  2

• RDS: Logging

  #37 opened 5 years ago by dgasmith
  0

• RDS: Faster caching

  #42 opened 5 years ago by dgasmith
  0

• RDS: 3-item group violin plot fails silently

  #18 opened 5 years ago by mattwelborn
  1

• RDS: MPCONF196 is either missing common methods or doesn't actually exist

  #13 opened 5 years ago by mattwelborn
  2

• TTS: do we want sensible defaults?

  #38 opened 5 years ago by mattwelborn
  1

• RDS: Data preloader

  #43 opened 5 years ago by dgasmith
  0

• TTS: Pass molecule parsing error up to the user

  #40 opened 5 years ago by mattwelborn
  5

• RDS: pre-defined views

  #16 opened 5 years ago by mattwelborn
  0

• RDS: make it possible to compare CP to noCP

  #35 opened 5 years ago by mattwelborn
  0

• RDS: counterpoise options should only be presented for `ie` datasets

  #25 opened 5 years ago by mattwelborn
  0

• RDS: Methods with "None" basis set

  #23 opened 5 years ago by mattwelborn
  0

• RDS: Convey which basis sets are available for which methods

  #33 opened 5 years ago by mattwelborn
  2

• TTS: "intuitive" model

  #34 opened 5 years ago by mattwelborn
  1

• RDS: context-specific "tips"

  #30 opened 5 years ago by mattwelborn
  0

• RDS: UNKNOWN method and basis set

  #24 opened 5 years ago by mattwelborn
  0

• RDS: delete input-failed columns

  #21 opened 5 years ago by mattwelborn
  1

• RDS: accuracy versus execution time plot

  #17 opened 5 years ago by mattwelborn
  1

• RDS: Tooltips

  #20 opened 5 years ago by mattwelborn
  0

• RDS: add RMSD

  #14 opened 5 years ago by mattwelborn
  0

• Dash Performance

  #1 opened 5 years ago by dgasmith
  1