Pinned Repositories
giae
Implementation of the Paper "Unsupervised Learning of Group Invariant and Equivariant Representations" presented at NeurIPS 2022.
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
Implementation of the Paper "Unsupervised Learning of Group Invariant and Equivariant Representations" presented at NeurIPS 2022.
gruenifai
Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space
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.
pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
pytorch-lightning
The lightweight PyTorch wrapper for ML researchers. Scale your models. Write less boilerplate
pytorch-seq2seq
An open source framework for seq2seq models in PyTorch.
jrwnter's Repositories
jrwnter/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.
jrwnter/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
jrwnter/pigvae
Implementation of the Paper "Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning" by Robin Winter, Frank Noe and Djork-Arne Clevert.
jrwnter/gruenifai
Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space
jrwnter/group-invaraint-ae
Implementation of the Paper "Unsupervised Learning of Group Invariant and Equivariant Representations" presented at NeurIPS 2022.
jrwnter/pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
jrwnter/pytorch-lightning
The lightweight PyTorch wrapper for ML researchers. Scale your models. Write less boilerplate
jrwnter/pytorch-seq2seq
An open source framework for seq2seq models in PyTorch.