ninglab / ModofLinks
The implementation of Modof for Molecule Optimization
☆28Updated last year
Alternatives and similar repositories for Modof
Users that are interested in Modof are comparing it to the libraries listed below
Sorting:
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆53Updated 3 years ago
- ☆17Updated 2 years ago
- Implementation of MolSearch paper☆22Updated last year
- ☆57Updated 2 years ago
- Contains results and data from Augmented Transformer article☆37Updated 4 years ago
- ☆24Updated 2 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆51Updated 5 years ago
- ☆37Updated 4 years ago
- graph generative model for molecule☆39Updated 5 years ago
- ☆26Updated last year
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- ☆59Updated last year
- ☆55Updated 3 years ago
- ☆56Updated last year
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- MCMG_V1☆75Updated 2 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 11 months ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆70Updated 4 years ago
- generative model for drug discovery☆59Updated last year
- ☆15Updated 3 years ago
- ☆27Updated last year
- ☆16Updated 3 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 3 years ago
- ☆56Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- ☆28Updated last year
- ☆26Updated 5 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆34Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated last year