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  1. cddd cddd Public

    Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-A…

    Python 220 72

  2. mso mso Public

    Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, …

    Python 76 21

  3. pigvae pigvae Public

    Implementation of the Paper "Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning" by Robin Winter, Frank Noe and Djork-Arne Clevert.

    Python 42 12

  4. gruenifai gruenifai Public

    Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space

    JavaScript 29 6

  5. group-invaraint-ae group-invaraint-ae Public

    Forked from Bayer-Group/giae

    Implementation of the Paper "Unsupervised Learning of Group Invariant and Equivariant Representations" presented at NeurIPS 2022.

    Jupyter Notebook 4 1

  6. pymol-open-source pymol-open-source Public

    Forked from schrodinger/pymol-open-source

    Open-source foundation of the user-sponsored PyMOL molecular visualization system.

    C