On Mon, Sep 23, 2013 at 7:15 AM, paul.czodrow...@merckgroup.com wrote:
a few days ago, I came across one technology named docker
(http://www.docker.io/): it provides a possibility to ship a complete Linux
distribution into one container.
I read about it, and bookmarked this the other day:
On 21 September 2013 13:55, Greg Landrum greg.land...@gmail.com wrote:
Something JP is particularly going to like is that Paolo also added the
out-of-plane term to the RDKit UFF implementation.
This means that this bug:
https://github.com/rdkit/rdkit/issues/62
which was formerly this bug:
Does RDKit support 3D small molecular alignment(flexible, rigid) and 3D
molecular similarity calculation (Like surflex-sim do)?
--
October Webinars: Code for Performance
Free Intel webinars can help you accelerate
3 matches
Mail list logo
