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Achievement: Pull Sharkx2Achievement: QuickdrawAchievement: YOLOAchievement: Starstruckx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull Sharkx2Achievement: QuickdrawAchievement: YOLOAchievement: Starstruckx2Achievement: Arctic Code Vault Contributor

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  • 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 216 74 MIT License Updated Apr 13, 2023

  • 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 BSD 3-Clause "New" or "Revised" License Updated Jan 10, 2023

  • 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 41 11 Updated Jan 5, 2023

  • gruenifai Public

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

    JavaScript 28 6 MIT License Updated Jan 5, 2023

  • 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 75 20 MIT License Updated Apr 13, 2021

  • pytorch-lightning Public

    Forked from Lightning-AI/pytorch-lightning

    The lightweight PyTorch wrapper for ML researchers. Scale your models. Write less boilerplate

    Python Apache License 2.0 Updated Apr 13, 2020

  • pytorch-seq2seq Public

    Forked from IBM/pytorch-seq2seq

    An open source framework for seq2seq models in PyTorch.

    Python Apache License 2.0 Updated Aug 20, 2019

  • pymol-open-source Public

    Forked from schrodinger/pymol-open-source

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

    C Other Updated Mar 7, 2019