Dierme / latent-gan
An implementation of the Latent Gan as discribed in the publication [cite]
☆61Updated 4 years ago
Alternatives and similar repositories for latent-gan:
Users that are interested in latent-gan are comparing it to the libraries listed below
- Molecular vectorization and batch generation☆51Updated 4 years ago
- graph generative model for molecule☆39Updated 5 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆65Updated 3 years ago
- ☆124Updated 2 years ago
- Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆65Updated 4 years ago
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆66Updated 2 years ago
- Mol-CycleGAN - a generative model for molecular optimization☆75Updated 6 years ago
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆103Updated 3 years ago
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆80Updated 4 years ago
- ☆68Updated 2 years ago
- ☆32Updated 3 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆52Updated 4 years ago
- Baselines models for GuacaMol benchmarks☆137Updated last year
- Novel molecules from a reference shape!☆84Updated last year
- ☆45Updated 2 years ago
- ☆25Updated last year
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆92Updated 5 years ago
- MCMG_V1☆71Updated 2 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- ☆37Updated 4 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆52Updated last year
- Graph neural network (GNN) for molecular property prediction (3D structure)☆97Updated 4 years ago
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆77Updated 3 years ago
- ☆45Updated 4 years ago
- ☆66Updated 4 years ago
- AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of …☆49Updated 5 years ago
- Code for "Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation" paper. Machine Learning for Molecu…☆32Updated 3 years ago
- Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks☆28Updated 6 years ago
- Trained caffe models☆87Updated last year
- ☆56Updated 2 years ago