Robin Winter

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.

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

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

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