Update version-pinned dependencies - Githubissues

Autodesk / molecular-design-toolkit

Notebook-integrated tools for molecular simulation and visualization

http://moldesign.bionano.autodesk.com

Apache License 2.0

165 stars 37 forks source link

Update version-pinned dependencies #144

Open avirshup opened 7 years ago

avirshup commented 7 years ago

Master list of dependencies to update:

AmberTools (16 -> 17)
PySCF (1.1 -> 1.3)
OpenMM (7 -> 7.1)
OpenBabel (???)
Docker (keep up with latest)
NWChem (move to public release with QM/MM)