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:
- The implementation of Modof for Molecule Optimization☆28Updated last year
- ☆23Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- ☆56Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- ☆15Updated 3 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated last year
- ☆33Updated 2 months ago
- A simple molecule fragmentation method.☆36Updated last year
- ☆20Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆68Updated 2 weeks ago
- ☆17Updated 2 years ago
- ☆28Updated 2 years ago
- ☆32Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated last year
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- ☆57Updated last year
- ☆24Updated 11 months ago
- ☆24Updated 2 years ago
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated last year
- ☆44Updated last year
- ☆27Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated last year
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆65Updated 6 months ago
- MGA☆43Updated 4 years ago
- ☆56Updated last year