Here are the slides from Tim Dudgeon’s talk “The Squonk Computational Notebook: Making cheminformatics and comp chem accessible to normal people!” at CCK-3.2.
Tag Archives: CCK-3.2
Tim Dudgeon of Informatics Matters will be giving a Lightning Talk at CCK-3.2 on “The Squonk Computational Notebook – making cheminformatics and comp chem accessible to normal people!”
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
The Cambridge Crystallographic Data Centre (CCDC) has been hosting and distributing the Cambridge Structural Database (CSD) for 50 years, and its latest release, CSD 2016, is the “world’s essential database of crystal structures, [with] over 800,000 entries”.
IT Teaching Laboratory (LG.02) of the Department of Statistics, 24-29 St Giles’, Oxford, OX1 3LB:
Andrew Maloney & Peter Wood (CCDC): “CSD Python API Workshop and Hackathon“. (We are planning to provide hands-on access to the API, and since there are only 48 desktops, so you should make sure to book a ticket.)
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:
- Andrew G. P. Maloney & Peter Wood (Cambridge Crystallographic Data Centre): “Harnessing the power of the Cambridge Structural Database in your own way: the CSD Python API“.
- Laura Domicevica (Biggin Group, Department of Biochemistry): Lightning Talk, “LINTools: time-resolved graphical representation of ligand-protein interactions“.
- Tim Dudgeon (Informatics Matters): Lightning Talk, “The Squonk Computational Notebook – making cheminformatics and comp chem accessible to normal people!“.
If you have a 5-minute Lightning Talk you’d like to give, get in touch!
Also, if you have some code you’d like demo, bring your laptop/mobile device.
Refreshments will be provided, including beer. (Thank you to Prof. Phil Biggin and the MRC Proximity to Discovery Fund for supporting CCK.)