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Postdoctoral Position, Machine Learning at the Computational Science Group of the Pompeu Fabra University. Ref. MELIS-INV-INDF-2022-22

Universitat Pompeu Fabra
22/11/2022

Job Information

Organisation/Company
Universitat Pompeu Fabra
Department
Department of Experimental and Health Sciences
Research Field
Computer science » Other
Physics » Other
Researcher Profile
Leading Researcher (R4)
Country
Spain
Application Deadline
Type of Contract
Permanent
Job Status
Full-time
Hours Per Week
37,5
Is the job funded through the EU Research Framework Programme?
Not funded by an EU programme
Is the Job related to staff position within a Research Infrastructure?
No

Offer Description

The project

The aim of the project is to construct powerful molecular representations of chemical space to be used for property prediction and generative models. The project is in collaboration with the Pharma company Janssen and will have access to private datasets.

Job description

− Implementing the state-of-the-art deep neural architecture such as equivariant transformers extending previous work on TorchMD-NET
− Build foundation models of three-dimensional molecular structures using unsupervised learning approaches from which specific downstream task can be trained in a supervised and data efficient manner
− Integration of conformational flexibility into the model
− Generating quantum mechanical datasets
− Develop a generative model which is dependent on structural information to propose new molecule candidates

Requirements

Skills/Qualifications

The candidate will preferably have a profile in computer science, chemistry, physics, medicinal chemistry, or similar discipline.
Very good knowledge of at least a machine learning framework, preferibly PyTorch or Jax and very good knowledge of Python and git.
We seek exceptional candidates with a passion for using computation and machine learning to solve real problems.
Experience in previous machine learning projects is a requirement.
The capability to think out of the box, the ambition to work in very innovative projects and very good communication skills in English.
Very good publication record.

Languages
ENGLISH
Level
Excellent
Research Field
Computer science
Years of Research Experience
4 - 10
Research Field
Chemistry
Years of Research Experience
4 - 10
Research Field
Physics
Years of Research Experience
4 - 10
Research Field
Medical sciences
Years of Research Experience
4 - 10

Additional Information

Benefits

2 years contract with a gross salary/year of 39.380,04€ approximately (plus Social Security costs) depending on the skills and experience.

Selection process

The interested candidates must send their CV, PhD degree and ID document number (DNI, NIE or passport) to the address: recruitment.melis@upf.edu with the reference MELIS-INV-INDF-2022-22.

Additional comments

Additional information of the Computational Science Group: gianni.defabritiis@upf.edu

Work Location(s)

Number of offers available
1
Company/Institute
Universitat Pompeu Fabra
Country
Spain
City
Barcelona
Postal Code
08003
Street
Dr. Aiguader, 88
Geofield

Where to apply

E-mail
recruitment.melis@upf.edu

Contact

City
Barcelona
Street
Dr. Aiguader, 88
Postal Code
08003