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Releases: doyle-lab-ucla/auto-qchem

v1.3.7

10 Apr 22:12
af04d50
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bug fix, rsa key for hoffman2 connect

v1.3.4

17 Oct 04:23
801aba2
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Merge pull request #26 from doyle-lab-ucla/dev2

v1.3.3

08 Sep 05:04
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v1.3.2

18 Aug 17:50
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reliable conf gen with rdkit for large mols

bug fix; release for v1.3.x

01 Jun 21:51
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Runs on Python 3.8. Openbabel 3.x seems okay

auto-qchem v1.3.0

01 Jun 05:22
6a52385
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auto-qchem v1.3.0 Pre-release
Pre-release

This release support Python 3.8, which addresses numpy<=1.21 vulnerability issue. However, openbabel>=3.1 has to be used, which might cause crashes for certain molecules

auto-qchem v1.2.6

01 Jun 05:14
4024eeb
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Stable release that run on Python 3.7

autoqchem v1.2.5

31 May 01:03
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stable version of autoqchem v1.2.5; first stable pip release