gregory-kyro / HAC-Net
HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction
☆53Updated 2 months ago
Alternatives and similar repositories for HAC-Net:
Users that are interested in HAC-Net are comparing it to the libraries listed below
- ☆54Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆18Updated 2 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, …☆55Updated 3 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆39Updated last year
- ☆34Updated 10 months ago
- Convergent motifs for binding sites☆22Updated 2 years ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆37Updated last year
- Diffusion model based protein-ligand flexible docking method☆99Updated 3 months ago
- ☆102Updated 6 months ago
- ☆69Updated 7 months ago
- ☆77Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- Convert coarse-grained protein structure to all-atom model☆37Updated 8 months ago
- ☆18Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆27Updated this week
- ☆32Updated 9 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆64Updated 2 weeks ago
- BioLiP2 database curation and web interface☆23Updated last month
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆58Updated 2 months ago
- ☆13Updated 2 years ago
- ☆18Updated 3 weeks ago
- Fragment-based Molecular Expansion☆20Updated last year
- De novo drug design with deep interactome learning☆32Updated 8 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆43Updated this week
- ☆21Updated 9 months ago
- Official repository of GENzyme☆41Updated 2 months ago
- An open library to work with pharmacophores.☆44Updated last year
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆22Updated 3 weeks ago