Postdoctoral Position on Machine Learning at the Computational Science Group

Date limit
20-10-2022
Institution
Pompeu Fabra University (UPF)

 

Job title

Postdoctoral Position, Machine Learning at the Computational Science Group of the Pompeu Fabra University. Ref. MELIS-INV-INDF-2022-15

Project and Institution that finance the contract: VLAIO project - G.deFabritiis
Official number reference/AE/Research Spanish Agency DOI: VLAIO project

The project

The project aims 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 tasks 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

Required Research Experiences

  • RESEARCH FIELD: Biological sciences YEARS OF RESEARCH EXPERIENCE: 4 - 10
  • RESEARCH FIELD: Computer science YEARS OF RESEARCH EXPERIENCE: 4 - 10
  • RESEARCH FIELD: Chemistry YEARS OF RESEARCH EXPERIENCE: 4 - 10

Offer Requirements

  • REQUIRED EDUCATION LEVEL
    • Chemistry: PhD or equivalent
    • Computer science: PhD or equivalent
    • Biological sciences: PhD or equivalent
  • REQUIRED LANGUAGES
    • ENGLISH: Excellent

Skills/Qualifications

  • The candidate will preferably have a profile in computer science, chemistry, physics, medicinal chemistry, or a similar discipline.
  • Very good knowledge of at least a machine learning framework, preferably PyTorch or Jax and very good knowledge of Python and git.
  • We seek exceptional candidates passionate about 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 on very innovative projects and very good communication skills in English.
  • Very good publication record.

Work location

1 position available at Universitat Pompeu Fabra (Dr. Aiguader, 88, 08003 Barcelona, Spain)

Benefits

2 years contract with a gross salary/year of 36.227,04€ approximately (plus Social Security costs) depending on the skills and experience.

Selection process

The interested candidates must send their CV to the address:recruitment.melis@upf.edu with the reference MELIS-INV-INDF-2022-15.

 

Original source: https://euraxess.ec.europa.eu/jobs/843103