cddlab / boltz_extLinks
☆13Updated this week
Alternatives and similar repositories for boltz_ext
Users that are interested in boltz_ext are comparing it to the libraries listed below
Sorting:
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆72Updated last week
- ☆37Updated 5 months ago
- ☆42Updated last year
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆62Updated last month
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Official repository of GENzyme☆54Updated 9 months ago
- Quick mapping of Uniprot sequences to PDB structures☆33Updated 5 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated last month
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆70Updated 3 weeks ago
- A universal structure-directed lead optimization☆49Updated 5 months ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆56Updated 8 months ago
- ☆46Updated 5 months ago
- ☆77Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆38Updated 2 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 10 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆96Updated 3 weeks ago
- ☆68Updated last year
- ☆27Updated 10 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆27Updated 5 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆46Updated last year
- ☆32Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆71Updated 2 months ago
- A benchmark for 3D biomolecular structure prediction models☆64Updated 3 months ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆27Updated 5 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆71Updated last week
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆52Updated 3 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆32Updated last year