guaguabujianle / GIGNLinks
☆48Updated 2 years ago
Alternatives and similar repositories for GIGN
Users that are interested in GIGN are comparing it to the libraries listed below
Sorting:
- ☆75Updated 2 years ago
- 3D_Molecular_Generation☆105Updated last year
- ☆40Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆60Updated 2 years ago
- ☆32Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated 2 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆65Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated 2 years ago
- ☆61Updated 6 months ago
- ☆112Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆55Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆107Updated last week
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆71Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆68Updated 2 years ago
- ☆82Updated 2 years ago
- A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)☆23Updated last year
- ☆132Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆17Updated last year
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆42Updated 2 years ago
- ☆17Updated 3 years ago
- ☆22Updated 4 years ago
- my own studied materials and scripts☆59Updated 2 weeks ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆40Updated 7 months ago
- ☆60Updated last week
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆86Updated this week
- MGA☆44Updated 5 years ago