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CHANGELOG.md

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Changelog

2.2.0 (2024-10-14)

Features

  • include training information README.md (edb150b)

Documentation

  • update citation README.md (9454d91)

2.1.0 (2024-08-14)

Features

  • add confidence while prediction (fb8dc93)
  • add detailed docstrings and documentation (9db9eef)
  • add rdkit and readthedocs config (ca979c2)
  • Add tests, improve workflow and add .gitignore (9255b41)
  • Added support for conda package (2ae890b)
  • create release-please.yml (cf2cb30)
  • improved README.md (afd9dc3)
  • Input SMILES Canonicalisation done using CDK instead of RDKit (c83e4f4)
  • Remove image (ca0e2e2)
  • updated models (d45654e)

Bug Fixes

  • add missing requirements (cbe9519)
  • conda install instructions (7ed9f0d)
  • Do not show TensorFlow warnings while loading (ecc8687)
  • docs: fixed typo in readMe (945478e)
  • Error with documentation imports (5b4675a)
  • GitHub url (56cb302)
  • import error tensorflow (149cd30)
  • include doctree information (b58e56a)
  • Installation instructions (ba5daf4)
  • model input length (61035c5)
  • Remove RDKit requirement (220a93c)
  • Remove subprocess unzip (e7a5eca)
  • remove unused imports (84a6e06)
  • Remove unused imports (13ae6b8)
  • Remove unwanted requirements (1eab987)
  • Run tests only with Python 3.10 (68cd77e)
  • support for python versions 3.7 and above (e7bb840)
  • Update DOI (6dec565)
  • update logo README.md (3fa5a41)
  • update requirements.txt (105ea95)
  • Update TRC logo (518537b)
  • updated docstrings (7056acc)
  • use rdkit, improve fucntions and resolve issues (786fe32)