PhoreGen: Pharmacophore-Oriented 3D Molecular Generation towards Efficient Feature-Customized Drug Discovery https://www.nature.com/articles/s43588-025-00850-5
☆32Jan 26, 2026Updated 2 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☆47Jan 28, 2026Updated 2 months ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆36Sep 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
- ☆46Jul 13, 2025Updated 9 months ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆10Apr 1, 2024Updated 2 years ago
- ☆11Aug 5, 2020Updated 5 years ago
- ☆18Feb 2, 2026Updated 2 months ago
- ☆11Mar 28, 2024Updated 2 years ago
- Official implementation of "BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design" (Advan…☆31Jul 24, 2025Updated 8 months ago
- ☆16Sep 15, 2025Updated 6 months ago
- ☆14Feb 20, 2025Updated last year
- Official implementation of DrugGEN in PyTorch☆12Oct 27, 2023Updated 2 years ago
- Topological transformer for protein-ligand complex interaction prediction.☆46Nov 25, 2025Updated 4 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Sequence-based protein solubility prediction using multidimensional embedding☆13Apr 19, 2021Updated 4 years ago
- [PNAS 2025] Code of "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".☆35Jan 18, 2026Updated 2 months ago
- Token-Mol 1.0:tokenized drug design with large language model☆61Dec 9, 2025Updated 4 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆92Mar 31, 2026Updated last week
- Operating System☆10Jun 14, 2025Updated 10 months ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆71Nov 22, 2025Updated 4 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
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆28Apr 25, 2025Updated 11 months ago
- The integrated tempering sampling as a bias in PLUMED2☆11Jan 15, 2021Updated 5 years ago
- ☆37Feb 5, 2026Updated 2 months ago
- ☆23Jul 15, 2024Updated last year
- A python script to perform QM/MM calculation.☆13Updated this week
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Dec 8, 2023Updated 2 years ago
- ChemBERTa-3 Repo☆53Jan 9, 2026Updated 3 months ago
- DeepSoluE☆17Sep 18, 2023Updated 2 years ago
- ☆13Dec 5, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆32Jan 27, 2024Updated 2 years ago
- Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…☆26Oct 1, 2020Updated 5 years ago
- GenMol is a generative AI model for creating novel molecules. It utilizes masked discrete diffusion and fragment-based generation to crea…☆173Jan 14, 2026Updated 3 months ago
- MULTI-evolve: a machine learning-guided end-to-end framework for engineering hyperactive multi-mutant proteins☆58Feb 28, 2026Updated last month
- An unsupervised deep learning-based approach for 4D-CT lung Deformable Image Registration☆22Nov 29, 2023Updated 2 years ago
- GATSol, an enhanced predictor of protein solubility through the synergy of 3D structure information and large language modeling☆18Sep 7, 2024Updated last year
- Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models☆33Dec 23, 2025Updated 3 months ago