Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
☆36Aug 17, 2023Updated 2 years ago
Alternatives and similar repositories for PocketAnchor
Users that are interested in PocketAnchor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆41Oct 9, 2024Updated last year
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 3 months ago
- ☆13May 26, 2022Updated 4 years ago
- ☆30Apr 2, 2026Updated 2 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆142Jul 16, 2025Updated 10 months ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 3 years ago
- Open source code for TankBind. Galixir Tenchnologies☆183Nov 1, 2023Updated 2 years ago
- 3D_Molecular_Generation☆115Nov 23, 2024Updated last year
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- ☆248May 22, 2023Updated 3 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Dec 8, 2023Updated 2 years ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆32Jul 29, 2025Updated 10 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆18Feb 2, 2026Updated 4 months ago
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆58Mar 9, 2023Updated 3 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Jan 24, 2022Updated 4 years ago
- ☆84Jan 8, 2024Updated 2 years ago
- ☆17Dec 2, 2025Updated 6 months ago
- ☆15Apr 14, 2023Updated 3 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆133Mar 16, 2023Updated 3 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- ☆22Oct 2, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆545Feb 19, 2025Updated last year
- Ligand Binding Site detection using Deep Learning☆116May 6, 2025Updated last year
- ☆22Mar 30, 2024Updated 2 years ago
- Coming Soon...☆10Mar 14, 2022Updated 4 years ago
- Python application for finding apo and holo structures for user-defined protein-ligand interactions☆10Feb 7, 2023Updated 3 years ago
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- The SimSite3D Software tools are designed to quickly search a database of three dimensional structures, in Protein Data Bank format, with…☆11Oct 18, 2018Updated 7 years ago
- ☆143Jun 18, 2025Updated 11 months ago
- ☆16Dec 10, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Predicting protein-ligand binding sites using deep convolutional neural network☆52Sep 23, 2024Updated last year
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆84Nov 12, 2020Updated 5 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆330Oct 6, 2025Updated 8 months ago
- Plausibility checks for generated molecule poses.☆381Mar 7, 2026Updated 3 months ago
- Neural relational inference for molecular dynamics simulations☆60May 30, 2023Updated 3 years ago
- ☆29May 5, 2025Updated last year
- Official Repository for the Uni-Mol Series Methods☆1,113May 29, 2025Updated last year