Generative Models in Drug Design
Positions: Student Researcher
Created: 2023-10-22 Deadline:
Location: Poland
We want to find a way to generate chemical molecules that is useful from the perspective of drug design process. Primarily, the new generative model should be able to follow given structural constraints and generate structural analogs, i.e. molecules similar to previously seen promising compounds.
General must-have requirements
PyTorch and Tensorflow
Contact: Tomasz Danel, Łukasz Maziarka (tomasz.danel [ at ] ii.uj.edu.pl)
Project's lab:
GMUM (Group of Machine Learning Research) is a group of researchers working on various aspects of machine learning, and in particular deep learning - in both fundamental and applied settings. The group is led by prof. Jacek Tabor. We are based in the Jagiellonian University in the beautiful city of Kraków, Poland.
Some of the research directions our group pursues include:
- Generative models: efficient training and sampling; inpainting; super-resolution,
- Theoretical understanding of deep learning and optimization,
- Natural language processing,
- Drug design and cheminformatics,
- Unsupervised learning and clustering,
- Computer vision and medical image analysis.
In 2023, we organized the second edition of Machine Learning Summer School (MLSS^S) with a focus on Applications in Science. We invite participants to collaborate with us on various ongoing research projects - learn more here.
See lab's page