ziqi92 / ModofLinks
Molecule Optimization via Fragment-based Generative Models
☆42Updated 2 years ago
Alternatives and similar repositories for Modof
Users that are interested in Modof are comparing it to the libraries listed below
Sorting:
- ☆17Updated 3 years ago
- ☆17Updated 3 years ago
- ☆60Updated 3 years ago
- The implementation of Modof for Molecule Optimization☆30Updated 2 years ago
- ☆22Updated 3 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Updated last year
- ☆56Updated last year
- Retrosynthetic prediction with Atom Environments☆38Updated 2 years ago
- ☆24Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- ☆22Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆35Updated 3 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆37Updated 6 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆67Updated last year
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- graph generative model for molecule☆40Updated 6 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆67Updated 2 years ago
- ☆39Updated 2 years ago
- ☆41Updated 9 months ago
- ☆32Updated 2 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆51Updated 3 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- ☆41Updated 5 years ago
- A simple molecule fragmentation method.☆40Updated 2 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- ☆25Updated 6 years ago