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
- ☆17Updated 2 years ago
- ☆56Updated 2 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆53Updated 3 years ago
- ☆23Updated last year
- ☆37Updated 4 years ago
- graph generative model for molecule☆39Updated 5 years ago
- Contains results and data from Augmented Transformer article☆38Updated 4 years ago
- ☆24Updated 2 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 11 months ago
- ☆27Updated last year
- ☆56Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated last year
- ☆25Updated 2 years ago
- ☆57Updated last year
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆51Updated 5 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆31Updated last year
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆33Updated 2 years ago
- Implementation of MolSearch paper☆22Updated last year
- ☆17Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated 2 years ago
- Code for training machine learning model for reaction condition prediction☆42Updated 5 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- A simple molecule fragmentation method.☆36Updated last year
- ☆16Updated 5 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- MCMG_V1☆75Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆34Updated 2 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆40Updated last year