xichengeva / DeepGlycanSite
☆25Updated 4 months ago
Related projects ⓘ
Alternatives and complementary repositories for DeepGlycanSite
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆48Updated 10 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆29Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆38Updated 10 months ago
- Diffusion model based protein-ligand flexible docking method☆91Updated 3 weeks ago
- ☆50Updated 11 months ago
- ☆42Updated 4 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆52Updated 3 weeks ago
- ☆62Updated 10 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆51Updated 3 weeks ago
- Graph variational encoders for drug engineering and potentiation☆26Updated last year
- ☆56Updated 2 years ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆51Updated 2 weeks ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆51Updated last year
- Official repository of EnzymeFlow☆59Updated last week
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆43Updated last year
- open source code for Tencent tFold☆68Updated 6 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 3 weeks ago
- ☆29Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆29Updated last month
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆70Updated 3 months ago
- A bunch of shell utilities for dealing the silent files☆53Updated 4 months ago
- ☆21Updated last month
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆38Updated last week
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆41Updated this week
- scripts to find PBD structures for cancer driver proteins☆29Updated 8 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆40Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆93Updated 7 months ago
- ☆48Updated 11 months ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆18Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated 3 weeks ago