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rssrwn/README.md

About Me

I am a PhD student at the Molecular AI department in AstraZeneca as well as at Chalmers University. Previously I studied computer science at Imperial College where I developed an interest in deep learning and symbolic AI. I mostly work on deep learning for molecular generation and representation learning, although I have also previously worked on neurosymbolic learning, reinforcement learning and evolutionary algorithms.

If you have any questions about my work or would just like to get in touch, feel free to email me - rossir [at] chalmers [dot] se

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  1. MolecularAI/MolBART MolecularAI/MolBART Public archive

    Pretrained SMILES transformation model for finetuning for diverse molecular tasks.

    Python 56 10

  2. molito molito Public

    Utilities for processing and storing molecular data

    Python 2

  3. semla-flow semla-flow Public

    Efficient 3D molecular generation with flow-matching and Semla

    Python 63 11

  4. ensemble-cond-design ensemble-cond-design Public

    Training and inference code for Ensemble-Conditioned Molecular Design research paper

    Python 6

  5. hvqa hvqa Public

    Neurosymbolic model for Video Question Answering - Master's project at Imperial

    Python

  6. genetic-search genetic-search Public

    Library for building and running genetic algorithms

    Scala