We offer a post position in Rouen, France, to work on the definition of
new graph kernels dealing with electronic characteristics of molecules.
Contact postdoc-graphkernel@litislab.fr for any questions.
Best regards,
Benoit Gaüzère.
Brief Description of the position
Graph kernels have already been applied to chemoinformatics and are
based on structural information encoded within molecular
graphs. However, intrinsic properties of atoms and theirs
interactions induce some electronic properties which are not
explicitly encoded within classic molecular graphs
representations. The main purpose of this post doctoral position
is to include this information into a new augmented kernel and
apply it on some chemoinformatics datasets. The two main steps
will be i) to define a new molecular representation encoding
local electronic information and ii) to define a new similarity
measure as a kernel to compare two molecules encoded in the new
proposed representation.
This project will be supervised in close collaboration by
LITIS (Rouen, France) and GREYC (Caen, France) laboratories which
have a strong expertise on graph kernels for
chemoinformatics. The chemical part will be supervised by COBRA
laboratory (Rouen, France) which has proposed various atomic
descriptors encoding some electronical information. Their
expertise will be essential to be able to encode additional
information into a new representation for chemical compounds.
Salary: This position will be granted with about 2280 euros/month
net salary.
Application domains: machine learning on graphs, chemoinformatics,
graph kernels, graph representations
Further details:
Place: The research will be conducted at LITIS Laboratory (Rouen, France)
in Normandy. The LITIS (EA 4108) is affiliated to Normandie
University, University of Rouen and INSA Rouen Normandie.
Start date: January/ February 2018
Duration: 20 months according to discussions with the candidate.
Topics: Graph kernels, graph representation, machine learning
Contact:
You can contact the team via : postdoc-graphkernel@litislab.fr
Required skills:
• PhD or Master in Applied Mathematics or computer science,
• experience in C++, Python or Matlab programming,
• knowledge in kernel methods, graph based approach constitutes an
advantage.
Required documents: Please send the following documents:
• up to date CV,
• Any recommendation letter
• A short document on research experience and interests
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