QizhiPei / FABind
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
☆114Updated 3 months ago
Related projects ⓘ
Alternatives and complementary repositories for FABind
- An awesome & curated list of docking papers☆78Updated this week
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆93Updated 7 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆75Updated 11 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆69Updated 6 months ago
- Diffusion model based protein-ligand flexible docking method☆91Updated 3 weeks ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆47Updated last month
- Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"☆74Updated last month
- Papers about Structure-based Drug Design (SBDD)☆85Updated 2 weeks ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆103Updated this week
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆103Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 3 weeks ago
- Comprehensive benchmarking of protein-ligand structure generation methods (ICML 2024 AI4Science)☆85Updated this week
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆87Updated last year
- ☆75Updated last month
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆67Updated last year
- ☆109Updated 3 weeks ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆58Updated 3 months ago
- ☆105Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆88Updated 3 months ago
- ☆77Updated 8 months ago
- ☆62Updated last year
- Dataset and package for working with protein-protein interactions in 3D☆84Updated 3 weeks ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆194Updated 10 months ago
- 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
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆53Updated 5 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆92Updated last week
- ☆93Updated 3 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆24Updated 2 months ago
- 3D_Molecular_Generation☆79Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago