guaguabujianle / EHIGN_PLALinks
☆21Updated last year
Alternatives and similar repositories for EHIGN_PLA
Users that are interested in EHIGN_PLA are comparing it to the libraries listed below
Sorting:
- ☆70Updated 2 years ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆100Updated this week
- ☆129Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated 2 years ago
- ☆81Updated last year
- 3D_Molecular_Generation☆103Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆16Updated last year
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- ☆48Updated 2 years ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Convergent motifs for binding sites☆26Updated 3 years ago
- A universal structure-directed lead optimization☆63Updated 9 months ago
- ☆111Updated 2 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆106Updated 4 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 5 months ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆77Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆160Updated last month
- ☆40Updated last year
- ☆41Updated 5 months ago
- ☆27Updated last year
- ☆57Updated 2 months ago
- ☆42Updated last year
- ☆36Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 6 months ago
- De novo drug design with deep interactome learning☆41Updated 6 months ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆73Updated last month
- ☆144Updated 5 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year