Skip to content
@PaccMann

PaccMann

Pinned Loading

  1. paccmann_rl Public

    Code pipeline for the PaccMann^RL in iScience: https://www.cell.com/iscience/fulltext/S2589-0042(21)00237-6

    32 9

  2. paccmann_sarscov2 Public

    Code for paper on automation of discovery and synthesis of targeted molecules: https://iopscience.iop.org/article/10.1088/2632-2153/abe808

    19 6

  3. paccmann_datasets Public

    pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/

    Python 28 7

Repositories

Showing 10 of 23 repositories
  • transcriptomic_signature_sampling Public
    Python 2 MIT 0 0 0 Updated Feb 20, 2025
  • paccmann_datasets Public

    pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/

    Python 28 MIT 7 0 0 Updated Oct 6, 2024
  • chemical_representation_learning_for_toxicity_prediction Public

    Chemical representation learning paper in Digital Discovery

    Jupyter Notebook 59 MIT 16 0 0 Updated May 22, 2024
  • paccmann_generator Public

    Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).

    Python 11 MIT 7 0 0 Updated May 22, 2024
  • paccmann_predictor Public

    PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction prediction

    Python 50 MIT 18 0 0 Updated May 21, 2024
  • paccmann.github.io Public

    PaccMann website

    HTML 0 0 0 0 Updated May 17, 2024
  • fdsa Public

    A fully differentiable set autoencoder

    Python 17 MIT 3 0 1 Updated Apr 3, 2024
  • paccmann_gp Public

    PyTorch/skopt based implementation of Bayesian optimization with Gaussian processes - build to optimize latent spaces of VAEs to generate molecules with desired properties

    Python 11 MIT 5 0 0 Updated Mar 23, 2024
  • TITAN Public

    Code for "T Cell Receptor Specificity Prediction with Bimodal Attention Networks" (https://doi.org/10.1093/bioinformatics/btab294, ISMB 2021)

    Jupyter Notebook 29 MIT 6 1 0 Updated Aug 4, 2023
  • paccmann_chemistry Public

    Generative models of chemical data for PaccMann^RL

    Python 14 MIT 8 0 0 Updated Jun 2, 2023
View all repositories