Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
https://github.com/rdkit/UGM_2016/tree/master/Notebooks
There are tutorials too.
Enjoy!
Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
https://github.com/rdkit/UGM_2016/tree/master/Notebooks
There are tutorials too.
Enjoy!
CCK-5, on Tuesday, November 1st, 2016, will be another “two-parter” comprised of CCK-5.1 and CCK-5.2. We would like to thank Evotec(UK) Ltd. for supporting this event.
For our fifth meeting, CCK-5.1, on Tuesday, November 1st, 2016, we are honoured to be hosting Greg Landrum; he is the leading developer of the open source cheminformatics toolkit, RDKit.
RDKit is an open source C++ toolkit for cheminformatics with Python, Java and C# wrappers and a number of KNIME cheminformatics nodes. A full overview of its functionality is provided in the documentation.
CCK-5.1
2:00-4:00 pm
Abbot’s Kitchen, Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR:
A total of 35 places are available, please register early to avoid disappointment. Registration for CCK-5.1.
CCK-5.2
5.00 – 6:00 pm
Talks and refreshments/beer, will again be held in the Abbot’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR: