☆77Nov 7, 2025Updated 10 months ago
Alternatives and similar repositories for DiffGui
Users that are interested in DiffGui are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆47Jul 13, 2025Updated last year
- PhoreGen: Pharmacophore-Oriented 3D Molecular Generation towards Efficient Feature-Customized Drug Discovery https://www.nature.com/artic…☆40Jan 26, 2026Updated 7 months ago
- Token-Mol 1.0：tokenized drug design with large language model☆67Jun 1, 2026Updated 3 months ago
- ☆18May 16, 2026Updated 4 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆220Apr 26, 2026Updated 4 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Research repository for diffusion based structure based drug design☆31Mar 12, 2025Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆256Mar 22, 2026Updated 6 months ago
- Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models☆43Jul 20, 2026Updated 2 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆166Jan 26, 2026Updated 7 months ago
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆16Mar 14, 2024Updated 2 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆346Jan 10, 2024Updated 2 years ago
- ☆28Jun 29, 2025Updated last year
- Official repository for MolCRAFT series☆159Oct 27, 2025Updated 10 months 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.
- [ICML 25'] Compositional Flows for 3D Molecule and Synthesis Pathway Co-design☆19Dec 1, 2025Updated 9 months ago
- ☆11Oct 1, 2021Updated 4 years ago
- ☆20Mar 3, 2026Updated 6 months ago
- Official implementation for paper: Sampling 3D Molecular Conformers with Diffusion Transformers (NeurIPS 2025)☆20Feb 3, 2026Updated 7 months ago
- ☆31Apr 3, 2025Updated last year
- Electron-density-informed effective and reliable de novo molecular design and optimization with ED2Mol☆137Apr 1, 2026Updated 5 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆98Jul 23, 2024Updated 2 years ago
- A universal structure-directed lead optimization☆79Jan 30, 2026Updated 7 months ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆34May 2, 2026Updated 4 months 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.
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆39Jul 17, 2026Updated 2 months ago
- ☆25Jul 20, 2026Updated 2 months ago
- SE(3) Equivariant Flow Matching for Property-Guided Molecule Generation.☆64Jun 2, 2026Updated 3 months ago
- ☆83Feb 17, 2026Updated 7 months ago
- Synthetic Accessibility via Fragment Assembly Generation☆24Jul 3, 2026Updated 2 months ago
- ☆17Feb 20, 2025Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆168May 9, 2026Updated 4 months ago
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 7 months ago
- ☆89Jan 11, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆862Sep 2, 2026Updated 2 weeks ago
- Efficient 3D molecular generation with flow-matching and Semla☆61Jun 3, 2026Updated 3 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆64Mar 30, 2026Updated 5 months ago
- ☆42Jun 3, 2025Updated last year
- Synthesis-oriented molecular design "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆40Apr 6, 2026Updated 5 months ago
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆23Feb 20, 2025Updated last year
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆18Sep 13, 2025Updated last year