PhoreGen: Pharmacophore-Oriented 3D Molecular Generation towards Efficient Feature-Customized Drug Discovery https://www.nature.com/articles/s43588-025-00850-5
☆36Jan 26, 2026Updated 4 months ago
Alternatives and similar repositories for PhoreGen
Users that are interested in PhoreGen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆51Jun 5, 2026Updated last week
- ☆26May 16, 2026Updated 3 weeks ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆39Sep 6, 2024Updated last year
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- Codebase for SigmaDock: Untwisting Molecular Docking with SE(3) Fragmented Diffusion☆85Apr 7, 2026Updated 2 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.
- Token-Mol 1.0：tokenized drug design with large language model☆65Jun 1, 2026Updated last week
- ☆46Jul 13, 2025Updated 11 months ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- ☆10Apr 1, 2024Updated 2 years ago
- ☆11Aug 5, 2020Updated 5 years ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆29May 2, 2026Updated last month
- ☆19Dec 5, 2024Updated last year
- ☆18Feb 2, 2026Updated 4 months ago
- Coming Soon...☆10Mar 14, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆14Oct 16, 2022Updated 3 years ago
- SMARTS sanitization☆33Mar 2, 2026Updated 3 months ago
- ☆11Mar 28, 2024Updated 2 years ago
- ☆13Nov 29, 2024Updated last year
- Official implementation of "BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design" (Advan…☆31Jul 24, 2025Updated 10 months ago
- ☆19May 16, 2026Updated 3 weeks ago
- Official implementation of DrugGEN in PyTorch☆12Oct 27, 2023Updated 2 years ago
- ☆15Feb 20, 2025Updated last year
- ☆41Mar 7, 2026Updated 3 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.
- Topological transformer for protein-ligand complex interaction prediction.☆46Nov 25, 2025Updated 6 months ago
- ☆13Apr 14, 2022Updated 4 years ago
- Sequence-based protein solubility prediction using multidimensional embedding☆13Apr 19, 2021Updated 5 years ago
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆36Updated this week
- MGA☆44Jan 15, 2021Updated 5 years ago
- Retrosynthesis Prediction with an Iterative String Editing Model☆31Dec 27, 2024Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆93Mar 31, 2026Updated 2 months ago
- Operating System☆10Jun 14, 2025Updated last year
- A deep learning method for the prediction of internal ribosome entry sites (IRES) of circRNAs☆17Jul 6, 2025Updated 11 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- nanobody melting temperature prediction using protein embeddings☆13Feb 24, 2025Updated last year
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆74Nov 22, 2025Updated 6 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- ☆15Jan 22, 2023Updated 3 years ago
- add game porting tools 1.02beta patch into crossover☆11Sep 3, 2023Updated 2 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆31Apr 25, 2025Updated last year