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:
- ☆56Updated last year
- ☆16Updated 3 years ago
- ☆17Updated 2 years ago
- ☆23Updated 2 years ago
- The implementation of Modof for Molecule Optimization☆28Updated last year
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆65Updated 7 months ago
- ☆57Updated 2 years ago
- A simple molecule fragmentation method.☆36Updated last year
- ☆24Updated 2 years ago
- ☆26Updated last year
- ☆59Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated last year
- MGA☆43Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- ☆28Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- ☆32Updated 2 years ago
- ☆20Updated 2 years ago
- ☆26Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆63Updated last year
- ☆25Updated 2 years ago
- ☆56Updated 2 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆60Updated 4 months ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆32Updated last year
- ☆15Updated 3 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- graph generative model for molecule☆39Updated 5 years ago
- ☆26Updated 5 years ago
- ☆34Updated 3 months ago