☆29Oct 7, 2024Updated last year
Alternatives and similar repositories for DeltaDock
Users that are interested in DeltaDock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Serializing molecule 3D structures☆14Nov 27, 2024Updated last year
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Official implementation of Panacea: A foundation model for clinical trial design, recruitment, search, and summarization.☆18Dec 24, 2024Updated last year
- ☆12Apr 6, 2024Updated last year
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆34Mar 24, 2025Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Oct 28, 2023Updated 2 years ago
- ☆20Oct 3, 2024Updated last year
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆21Feb 20, 2025Updated last year
- Official implementation of SketchMol.☆32Feb 14, 2025Updated last year
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆41Oct 8, 2024Updated last year
- Generative modeling of molecular dynamics trajectories☆205Mar 22, 2026Updated last week
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆235Sep 29, 2025Updated 6 months ago
- ☆17Oct 27, 2024Updated last year
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- ☆42Mar 26, 2025Updated last year
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆43Nov 4, 2025Updated 4 months ago
- Parallel Molecular Docking using PLANTS software☆14Dec 8, 2024Updated last year
- Code fo ICLR2025 paper "A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer"☆22Jul 18, 2025Updated 8 months ago
- ☆82Jan 8, 2024Updated 2 years ago
- ☆10Oct 31, 2025Updated 4 months ago
- Official Implementation of CompassDock☆21Feb 13, 2026Updated last month
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆292Dec 23, 2025Updated 3 months ago
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆30Feb 24, 2025Updated last year
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆41Jul 4, 2025Updated 8 months ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆22Oct 31, 2025Updated 4 months ago
- ☆41Apr 10, 2025Updated 11 months ago
- ☆39Oct 22, 2024Updated last year
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆35Jul 22, 2025Updated 8 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆26Nov 7, 2025Updated 4 months ago
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated 10 months ago
- ☆21May 24, 2024Updated last year
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆20Sep 28, 2024Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆141Jul 16, 2025Updated 8 months ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆39Oct 9, 2024Updated last year
- Implementation of FoldMark: Safeguarding Protein Structure Generative Models with Distributional and Evolutionary Watermarking☆24Jul 3, 2025Updated 8 months ago
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆21Oct 31, 2025Updated 4 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆34Jul 16, 2024Updated last year
- Examples of MolScore implementations☆12May 30, 2024Updated last year
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago