jiaxianyan / DeltaDockLinks
☆27Updated 10 months ago
Alternatives and similar repositories for DeltaDock
Users that are interested in DeltaDock are comparing it to the libraries listed below
Sorting:
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆95Updated 2 weeks ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆70Updated 3 weeks ago
- ☆37Updated 5 months ago
- Diffusion model based protein-ligand flexible docking method☆110Updated 9 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆77Updated last year
- ☆32Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 10 months ago
- ☆58Updated last year
- ☆50Updated 3 weeks ago
- ☆68Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆27Updated 5 months ago
- ☆35Updated last month
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆62Updated 2 months ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆39Updated 5 months ago
- A universal structure-directed lead optimization☆49Updated 5 months ago
- ☆46Updated 5 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- PoseX: A Molecular Docking Benchmark☆47Updated last month
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆70Updated 2 weeks ago
- ☆37Updated 2 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆38Updated 2 months ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆54Updated last month
- ☆32Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆71Updated last week
- my own studied materials and scripts☆52Updated 4 months ago
- ☆49Updated last month