KyGao / awesome-dockingLinks
An awesome & curated list of docking papers
☆117Updated 8 months ago
Alternatives and similar repositories for awesome-docking
Users that are interested in awesome-docking are comparing it to the libraries listed below
Sorting:
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆116Updated last year
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆203Updated 6 months ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆133Updated 3 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆154Updated last week
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆120Updated 8 months ago
- Diffusion model based protein-ligand flexible docking method☆114Updated last year
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆110Updated 2 years ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆170Updated 2 months ago
- ☆107Updated 2 years ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆223Updated last year
- ☆94Updated last year
- ☆143Updated 3 months ago
- Papers about Structure-based Drug Design (SBDD)☆130Updated 2 months ago
- ☆204Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆216Updated last month
- Protein-ligand structure prediction☆232Updated 3 months ago
- Open source code for TankBind. Galixir Tenchnologies☆170Updated 2 years ago
- Official Implementation of IgGM☆151Updated 3 weeks ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆95Updated 6 months ago
- ☆126Updated 5 months ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆93Updated 5 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆116Updated last year
- Geometric deep learning method to predict protein binding interfaces from a protein structure.☆146Updated 2 years ago
- An accurate and trainable end-to-end protein-ligand docking framework☆113Updated 7 months ago
- ☆134Updated 4 months ago
- ☆130Updated 3 years ago
- Python3 translation of AutoDockTools☆129Updated last year
- Masif seed paper repository☆163Updated last month
- ☆125Updated last year
- Official repository for MolCRAFT series☆125Updated 2 weeks ago