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Releases: lamalab-org/MoleculeBind

0.2

14 Jan 06:53
@AdrianM0 AdrianM0
0.2
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0.2

In this release:

  • fixed some file names in experiments/structure_elucidation/
  • added README for the spec2struct pipeline
  • introduced a demo Jupyter Notebook for spec2struct experiments/structure_elucidation
  • added some details to the main README of MoleculeBind

Full Changelog: 0.1...0.2

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ChemRxiv Version 0

22 Nov 11:54
@AdrianM0 AdrianM0
0.1
b3c246f
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ChemRxiv Version 0

Release for version 0 on ChemRxiv.

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