Synthemol

Latest version: v1.0.4

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1.0.3

This release specifies that Chemprop should be version 1.6.1 in the `setup.py` for pip installation since the new version of Chemprop (2.0) currently breaks Chemprop-related imports in SyntheMol.

1.0.2

Added information about our Nature Machine Intelligence paper in the README.

1.0.1

Cleaned up unnecessary columns from the REAL building blocks file to reduce the file size.

v_1.0.0-zenodo
Release to trigger a Zenodo DOI creation

1.0.0

Public release of SyntheMol GitHub repo and PyPI package.

0.0.3

Completed a major refactor of the SyntheMol code to improve ease of use (i.e., as pip package with `synthemol` command) and verified reproducibility of prior results.

0.0.2

This release marks the state of the code after completing analysis of the generated, synthesized, and experimentally validated molecules and writing the paper but prior to cleaning up the repo (e.g., changing file names, removing unused scripts).

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