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Updated CHANGELOG for 0.2.9
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hadim committed Mar 18, 2021
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23 changes: 23 additions & 0 deletions CHANGELOG.rst
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Expand Up @@ -4,6 +4,29 @@ pantagruel Change Log

.. current developments
v0.2.9
====================

**Added:**

* `dm.pick_centroids` for picking a set of centroid molecules using various algorithm
* `dm.assign_to_centroids` for clustering molecules based on precomputed centroids.

**Changed:**

* Make `add_hs` optional in `conformers.generate` and removed them when `add_hs` is True. Explicit hydrogens will be lost.

**Fixed:**

* Doc string of `dm.pick_diverse`

**Authors:**

* Emmanuel Noutahi
* Hadrien Mary



v0.2.8
====================

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