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Robin Winter's Projects

cddd icon cddd

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-Arne Clevert.

group-invaraint-ae icon group-invaraint-ae

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

gruenifai icon gruenifai

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

mso icon mso

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, Frank Noé and Djork-Arné Clevert

pigvae icon pigvae

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

pymol-open-source icon pymol-open-source

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

pytorch-lightning icon pytorch-lightning

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

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