Profile cover photo
Profile photo
RDKit
178 followers -
Open source cheminformatics and machine learning
Open source cheminformatics and machine learning

178 followers
About
Posts

Post has attachment
Add a comment...

Post has shared content
This year's RDKit User Group Meeting will take place from 2-4 September at the ETH Zurich, Switzerland. Sereina Riniker will be hosting the event. Thanks Sereina!

Registration for the RDKit UGM is free: https://www.eventbrite.com/e/4th-rdkit-user-group-meeting-tickets-15827426258

The previous years' format seemed to work pretty well and the feedback was positive, so we will stick to the same format this year:

Days 1 and 2: Talks, lightning talks, roundtable(s), discussion, and talktorials. For those who haven’t attended before, talktorials are somewhere between a talk and a tutorial, they cover something interesting done with the RDKit and include the code used to do the work. During the presentation you'll give an overview of what you did and also show the pieces of the code that are central to the work. The idea is to mix the science up with the tutorial aspects.

Day 3 will be a sprint: those who choose to stay will spend an intense day working in small groups to produce useful artifacts: new bits of code, KNIME nodes, knime workflows, tutorials, documentation, IPython notebooks, etc. We will once again try to structure this a bit by collecting a bunch of ideas for things to work on in advance.

There will also be, of course, social activities.

Cooperation with KNIME: Something new this year: our friends at KNIME will be participating in the meeting. If there’s sufficient interest, they have also agreed to offer a one-day KNIME course on the Tuesday before the UGM (the 1st of September). If you're interested and believe you will be able to attend please indicate this when you register.

The registration page and announcement (http://www.rdkit.org/RDKitUGM2015Announcement.pdf) contain additional information about hotels and logistics.

We are looking for people who are willing to do presentations or talktorials on the first two days. If you're interested in contributing, please send Sereina and I email. Lighting talks don't need to be arranged too far in advance; we will start collecting the list of people interested in doing those shortly before the event.

#rdkitannouncement  
Add a comment...

Save the date: 2015 RDKit UGM

This year's RDKit UGM will be hosted by Sereina Riniker at the ETH in Zurich, Switzerland. The meeting will take place on the 2nd and 3rd of September, with a hackathon day on the 4th.

The call for contributions and more detailed information about the meeting will come out later in Q1, but we wanted to make sure everyone can mark their calendars as soon as possible.

Many thanks to Sereina for taking on the task of hosting this year's UGM!
Add a comment...

The 2014.09.1 (Q3 2014) version of the RDKit is now available.

The release can be found at github (https://github.com/rdkit/rdkit/releases/tag/Release_2014_09_1) or sourceforge (http://sourceforge.net/projects/rdkit/files/rdkit/Q3_2014/). Click through to see the release notes and download Windows binaries or the source distribution.

New this time, there is now a DOI available for the RDKit via zenodo: http://dx.doi.org/10.5281/zenodo.12483

#rdkitannouncement  
Add a comment...

Post has attachment
Here's the agenda for next week's RDKit UGM.

I can't wait! :-)

#rdkitugm2014  
Add a comment...

Post has attachment

Post has attachment

Post has attachment
Add a comment...

Post has attachment
A fully functional port of the #RDKit  to Python3 is now available on this branch:
https://github.com/rdkit/rdkit/tree/python3-support

We'll be merging this onto the trunk in about a week, but early feedback would be very welcome.
Add a comment...

Post has attachment
Wait while more posts are being loaded