nyu-dl / conditional-molecular-design-ssvaeLinks
☆50Updated last year
Alternatives and similar repositories for conditional-molecular-design-ssvae
Users that are interested in conditional-molecular-design-ssvae are comparing it to the libraries listed below
Sorting:
- Molecular-GAT☆21Updated 7 years ago
- ☆63Updated 6 years ago
- Data and models (with prediction scripts) used in publications related to Apollo1060 platform☆64Updated last year
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆104Updated 3 years ago
- Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"☆45Updated last year
- ☆73Updated 2 years ago
- Chemical Property Prediction with Graph Convolutional Networks☆60Updated 5 years ago
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆80Updated 5 years ago
- ☆31Updated 6 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆79Updated last year
- Mol-CycleGAN - a generative model for molecular optimization☆75Updated 6 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Updated 4 years ago
- ☆37Updated 4 years ago
- graph generative model for molecule☆39Updated 5 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆70Updated 4 years ago
- ☆25Updated 4 years ago
- ☆67Updated 3 years ago
- Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".☆39Updated 7 years ago
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆79Updated 4 years ago
- Enhanced protein mutational sampling using time-lagged variational autoencoders☆30Updated 6 years ago
- ☆37Updated 4 years ago
- Novel molecules from a reference shape!☆84Updated last year
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆66Updated 2 years ago
- Baselines models for GuacaMol benchmarks☆140Updated last year
- ☆49Updated 7 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆153Updated 6 years ago
- ☆84Updated 7 years ago
- A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13☆30Updated 5 years ago
- Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules☆46Updated 4 years ago
- ☆28Updated 2 years ago