jkwang93 / MCMGLinks
MCMG_V1
☆75Updated 2 years ago
Alternatives and similar repositories for MCMG
Users that are interested in MCMG are comparing it to the libraries listed below
Sorting:
- graph generative model for molecule☆40Updated 5 years ago
- ☆60Updated 3 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 4 years ago
- ☆64Updated 4 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Updated 4 years ago
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆41Updated 2 years ago
- ☆63Updated last year
- ☆25Updated 4 months ago
- ☆71Updated last year
- ☆131Updated 2 years ago
- 3D_Molecular_Generation☆100Updated 11 months ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- ☆162Updated 2 years ago
- Awesome De novo drugs design papers☆90Updated last year
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Updated 5 years ago
- AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of …☆52Updated 5 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- The implementation of Modof for Molecule Optimization☆30Updated 2 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆161Updated 3 years ago
- Contains results and data from Augmented Transformer article☆39Updated 5 years ago
- MGA☆44Updated 4 years ago
- ☆68Updated 3 years ago
- ☆33Updated 3 years ago
- Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆67Updated 4 years ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆33Updated 3 years ago
- ☆169Updated 3 years ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆78Updated last year
- ☆67Updated 5 years ago
- PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆33Updated 4 years ago