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1. profis profis Public

   Design of target-focused libraries by probing continuous fingerprint space with recurrent neural networks. The repository accompanies a research paper published in Journal of Chemical Information a…

   Python 1

2. vae-annealing vae-annealing Public

   A simple pytorch implementation for calculating VAE loss components and annealing KLD loss while training VAEs, especially RNN-based

   Python 20 2

3. pum-25 pum-25 Public

   Course materials for the 2025/2026 edition of Basics of Machine Learning (Podstawy Uczenia Maszynowego) taught at the Department of Chemistry, Jagiellonian University

   Jupyter Notebook 13