Releases: doyle-lab-ucla/auto-qchem
Releases · doyle-lab-ucla/auto-qchem
v1.3.7
v1.3.4
Merge pull request #26 from doyle-lab-ucla/dev2
v1.3.3
v1.3.2
reliable conf gen with rdkit for large mols
bug fix; release for v1.3.x
Runs on Python 3.8. Openbabel 3.x seems okay
auto-qchem v1.3.0
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
Stable release that run on Python 3.7
autoqchem v1.2.5
stable version of autoqchem v1.2.5; first stable pip release