devalab / DeepPocketLinks
Ligand Binding Site detection using Deep Learning
☆111Updated 8 months ago
Alternatives and similar repositories for DeepPocket
Users that are interested in DeepPocket are comparing it to the libraries listed below
Sorting:
- ☆80Updated last year
- ☆89Updated last year
- ☆134Updated 3 years ago
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆85Updated 6 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆72Updated 10 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆128Updated 2 years ago
- ☆42Updated last year
- Antibody-Antigen Docking and Affinity Benchmark☆75Updated 5 years ago
- ☆22Updated 4 years ago
- ☆60Updated 6 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆108Updated 5 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆163Updated last month
- Integrated physics-based and ligand-based modeling.☆69Updated 2 months ago
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- ☆131Updated last year
- 3D_Molecular_Generation☆104Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆50Updated last month
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆83Updated 5 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 6 months ago
- Python3 translation of AutoDockTools☆131Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆102Updated 3 weeks ago
- This is a machine-learning based protein-ligand scoring function.☆53Updated 5 years ago
- ☆65Updated 2 months ago
- 3D pharmacophore signatures and fingerprints☆111Updated 8 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated 2 years ago
- ☆81Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated 2 years ago