LamUong / Generate-novel-molecules-with-LSTMLinks
Novel molecules generation with LSTM
☆17Updated 4 years ago
Alternatives and similar repositories for Generate-novel-molecules-with-LSTM
Users that are interested in Generate-novel-molecules-with-LSTM are comparing it to the libraries listed below
Sorting:
- ☆31Updated 7 years ago
- ☆28Updated 2 years ago
- Deep-learning models for Drug Discovery and Quantum Chemistry☆27Updated 7 years ago
- ☆49Updated 7 years ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆24Updated last year
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆33Updated 3 months ago
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆66Updated 2 years ago
- An experimental package for deep learning for molecular docking☆20Updated 5 years ago
- An experimental repo for experimenting with PyTorch models☆36Updated 2 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆69Updated 4 years ago
- Molecular vectorization and batch generation☆50Updated 4 years ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆16Updated 3 months ago
- Graph-based genetic algorithm☆88Updated 4 years ago
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆35Updated 3 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated last year
- Molecular Structure Generation☆30Updated 11 months ago
- Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.☆75Updated 2 years ago
- ☆74Updated 2 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- ☆63Updated 6 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆33Updated last year
- Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation☆63Updated 5 years ago
- ☆66Updated 6 years ago
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆104Updated 3 years ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆16Updated 7 years ago
- ☆37Updated 4 years ago
- Reinforcement Learning based bioretrosynthesis tool☆50Updated 3 months ago
- CheTo - Chemical Topic Modeling☆32Updated 4 years ago
- ☆17Updated 2 years ago
- Fréchet ChemNet Distance: A quality measure for generative models for molecules☆83Updated last year