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Commits on Dec 19, 2024

• Merge pull request #52 from ur-whitelab/local-rxn

  Show description for e7ebd51
  doncamilom

  authored
  e7ebd51

• add readme for building docker images

  doncamilom

  committed
  fc7039c

• lint

  doncamilom

  committed
  c85b360

• fix local retro tool

  doncamilom

  committed
  39dbc84

• ignore model files

  doncamilom

  committed
  6526f2d

• add readme for files

  doncamilom

  committed
  28740cd

• add optional local_rxn

  Show description for 1bb22dd
  doncamilom

  committed
  1bb22dd

• updating tests. they were failing

  doncamilom

  committed
  58352fc

• update readme

  doncamilom

  committed
  06e50fe

• add readme to download model

  doncamilom

  committed
  af101e8

• add docker image for molecular transformer.

  doncamilom

  committed
  6a4ad04

Commits on Mar 27, 2024

• Added Zenodo badge

  whitead

  authored
  ac8b380

• Version bump for zenodo

  whitead

  authored
  9a18c01

Commits on Mar 14, 2024

• up version

  doncamilom

  committed
  dbb93bd

• adding semanticscholar_apikey to prevent exceeding rate limit

  doncamilom

  committed
  59e63bd

• literally passing everything to paperqa to see if it works ffs

  doncamilom

  committed
  4a0b137

Commits on Mar 13, 2024

• Merge pull request #34 from ur-whitelab/chemspace-tools

  Show description for 14fcd24
  doncamilom

  authored
  14fcd24

• add paper-scraper install in workflow

  doncamilom

  committed
  8bb500b

• Merge pull request #33 from ur-whitelab/chemspace-tools

  Show description for 1128736
  doncamilom

  authored
  1128736

• fixing build workflow

  doncamilom

  committed
  f518f4d

• Merge pull request #32 from ur-whitelab/chemspace-tools

  Show description for d54ae6d
  doncamilom

  authored
  d54ae6d

• fix build workflow

  doncamilom

  committed
  60a3529

• Merge pull request #31 from ur-whitelab/chemspace-tools

  Show description for aed5e07
  doncamilom

  authored
  aed5e07

• new version + final check

  doncamilom

  committed
  c003976

• try again?

  doncamilom

  committed
  9ec4db7

• fixing test

  doncamilom

  committed
  f2e6b20

• update chemspace api key in gh workflows

  doncamilom

  committed
  6bb7a6d

• deleting app. not here, should be eddited in HF git

  doncamilom

  committed
  1f455fd

Commits on Mar 12, 2024

• rearranged converters and added a function to get name

  SamCox822

  committed
  aa04863

• changed query2smiles to use chemspace if possible

  SamCox822

  committed
  5f26b0f

Commits on Feb 29, 2024

• rm .#tool_list.py

  doncamilom

  authored
  61ecc0b

• small fix in safety feature

  doncamilom

  committed
  4d6ca7b

Commits on Feb 27, 2024

• check for multple smiles (#28)

  SamCox822

  authored
  d916d2e

• added explict safety check when mol is converted (#23) (#26)

  SamCox822

  authored
  17dee46

• fixed pqa tool (#25)

  SamCox822

  authored
  bded2ce

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