ACE-KAIST / PIGNet
PIGNet source code
☆49Updated 2 years ago
Alternatives and similar repositories for PIGNet:
Users that are interested in PIGNet are comparing it to the libraries listed below
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆52Updated 6 months ago
- ☆78Updated 10 months ago
- ☆16Updated last month
- ☆34Updated 11 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆57Updated last month
- ☆32Updated 2 years ago
- Pose checks for 3D Structure-based Drug Design methods☆77Updated 2 months ago
- ☆56Updated last year
- ☆120Updated 2 years ago
- Fragment-based Molecular Expansion☆18Updated last year
- Diffusion model based protein-ligand flexible docking method☆98Updated 2 months ago
- ☆28Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆60Updated 8 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated this week
- Graph variational encoders for drug engineering and potentiation☆28Updated last year
- ☆87Updated 2 years ago
- graph generative model for molecule☆37Updated 5 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆51Updated 2 years ago
- ☆53Updated last year
- ☆32Updated last year
- 3D_Molecular_Generation☆80Updated last month
- Molecule Optimization via Fragment-based Generative Models☆40Updated last year
- The graph-convolutional neural network for pka prediction☆70Updated last year
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆63Updated 3 weeks ago
- ☆79Updated 3 months ago
- Awesome De novo drugs design papers☆85Updated last year
- ☆117Updated 2 months ago
- ☆11Updated 10 months ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆35Updated last year
- ☆20Updated 6 months ago