☆17Nov 19, 2023Updated 2 years ago
Alternatives and similar repositories for GAABind
Users that are interested in GAABind are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Water Network-Augmented Two-State model for Protein−Ligand Binding Affinity Prediction☆12Jun 10, 2023Updated 2 years ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Aug 5, 2025Updated 9 months ago
- Lo-Hi: Practical ML Drug Discovery Benchmark paper☆12Nov 13, 2023Updated 2 years ago
- ☆28Aug 20, 2022Updated 3 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32May 16, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆21May 28, 2025Updated 11 months ago
- ☆67Jul 13, 2025Updated 9 months ago
- ☆15Dec 4, 2023Updated 2 years ago
- Blood–Brain Barrier Penetration Prediction Enhanced by Uncertainty Estimation☆12Feb 24, 2022Updated 4 years ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆142Jul 16, 2025Updated 9 months ago
- ☆22May 24, 2024Updated last year
- ☆15Mar 6, 2024Updated 2 years ago
- ☆138Aug 8, 2024Updated last year
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13Feb 11, 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.
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years ago
- ☆25Mar 15, 2024Updated 2 years ago
- ☆10Dec 20, 2023Updated 2 years ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆22Oct 2, 2024Updated last year
- Diffusion model based protein-ligand flexible docking method☆118Oct 30, 2024Updated last year
- A multi-model framework for blood-brain barrier permeability discovery☆17Jun 6, 2022Updated 3 years ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 9 months ago
- ☆12Jul 5, 2024Updated last year
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆78Apr 7, 2026Updated 3 weeks ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆50Jun 21, 2023Updated 2 years ago
- ☆84Jan 8, 2024Updated 2 years ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆244Sep 29, 2025Updated 7 months ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- ☆13Jun 7, 2024Updated last year
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆20Sep 4, 2025Updated 8 months ago
- ☆42Mar 26, 2025Updated last year
- SE(3) diffusion models for generating CDR loops☆10Feb 6, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆41May 22, 2024Updated last year
- ☆97Oct 14, 2025Updated 6 months ago
- Automated bonded parameters for Martini 3☆26Jul 20, 2025Updated 9 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆48Nov 4, 2025Updated 6 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆297Dec 23, 2025Updated 4 months ago
- ☆16Jan 5, 2021Updated 5 years ago
- ☆12Jul 31, 2020Updated 5 years ago