Hello,
I have added a Postgres-13/RDKit 2021.03-Version to my Chembience Postgres
RDKit project (https://github.com/chembience/docker-postgres-rdkit-compile)
Available Docker images are now
*chembience/postgres-rdkit:postgres-13.rdkit-2021.03 (new)*
That's really cool, thanks Markus!
On Sat, Mar 6, 2021 at 7:34 PM Markus Sitzmann
wrote:
> Hello,
>
> I have reworked the Postgres RDKit extension module of Chembience and made
> it a spin-off project of its own which is available at:
>
>
Hello,
I have reworked the Postgres RDKit extension module of Chembience and made
it a spin-off project of its own which is available at:
https://github.com/chembience/docker-postgres-rdkit-compile
It is now based on a fork of the Official Postgres Docker Image repository
at GitHub just adding
Hello,
I have releases Chembience 0.2.6 - it switches Python from 3.6 to 3.7 and
updates RDKit to 2018.09.1. Just to mention it, the Docker images of all
previous releases are also still available from Dockerhub.
https://github.com/chembience/chembience/releases/tag/v0.2.6
Feedback was so far kind words and Twitter likes :-). And looking on my github
stats I also see some clones.
However, I am happy so far with it - I know it is still a bit heady and I have
to improve documentation a lot. And I also want to build some easily
distributable open chemoinformatics
Hello,
I have released *Chembience 0.2.5*: it updates the Docker images of the
Django and the Jupyter notebook app in Chembience + the Postgres extension
of the Chembience database image to *RDKit 2018.09* (and it went really
smooth :-) )
Hello,
I have put together another Chembience release (0.2.3): update of RDKit to
version 2018.03.*4, *Postgres to version 10.5, and Django to 2.1
https://github.com/chembience/chembience
https://twitter.com/markussitzmann/status/1035629283736264704
Best,
Markus
On Sun, Jun 10, 2018 at 4:41
Hello,
I have just released Chembience 0.2.1: it updates RDKit to version
2018.03.2 and switches Postgres from the 9.x series to version 10.4
https://github.com/chembience/chembience
Best,
Markus
On Mon, May 14, 2018 at 1:49 AM Markus Sitzmann
wrote:
> Hello,
>
> I have released Chembience
Hello,
I have released Chembience 0.2.0: it includes an update to RDKit 2018.03
and also provides Jupyter as new base App container type.
https://github.com/chembience/chembience
(so, assuming you have Docker and docker-compose installed on your
computer, you are a few, easy commands away from
Hello,
since it includes RDKit as one of its major components I am happy to
announce the first release of my new open-source project Chembience:
A Docker-based, cloudable platform for the development of
chemoinformatics-centric web applications and microservices.
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