Python training in Cheminformatics

[Andrew Dalke]

Python training in Cheminformatics

Andrew Dalke is offering a course in Python programming
for cheminformatics in Leipzig, Germany on 6-7 October
and in the San Francisco Bay Area in early December. Early
registration for the Leipzig course ends 12 September.

For full details see http://dalkescientific.com/training/
or contact Andrew directly at dalke at dalkescientific.com .

The courses are designed for working computational
chemists with some programming experience who want to
be more effective at the software aspect of the field.
The course is hands-on, with examples directly drawn
from common needs in cheminformatics research.

Some of the topics covered are:
  - an overview of the Python language
  - plotting with matplotlib
  - OpenEye's OEChem
  - parsing CSV, SMILES and SD files
  - substructure matching with SMARTS
  - generating and searching fingerprints
  - scripting PyMol
  - calling command-line programs like InChI
  - web scraping servers like PubChem
  - working with Excel

                                Andrew Dalke
                                dalke at dalkescientific.com