Structure-aware PRotein ligand INTeraction (SPRINT) is a ultrafast deep learning framework for drug-target interaction prediction.
☆16Feb 19, 2026Updated last month
Alternatives and similar repositories for panspecies-dti
Users that are interested in panspecies-dti are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆31Jul 29, 2025Updated 8 months ago
- Docking Tool Benchmarking Workflow☆25Jul 17, 2024Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆26Oct 16, 2023Updated 2 years ago
- Integrated physics-based and ligand-based modeling.☆70Oct 27, 2025Updated 5 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆55Dec 27, 2023Updated 2 years ago
- ☆15Mar 6, 2026Updated 3 weeks ago
- Building more accurate protein structures from backbone torsion angles☆15Mar 21, 2025Updated last year
- A deep learning framework for deubiquitnase-substrate interaction identification☆12Jul 31, 2025Updated 7 months ago
- ☆16Dec 10, 2024Updated last year
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆30Feb 24, 2025Updated last year
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆69Dec 16, 2024Updated last year
- Codebase of 'MADE-for-ASD: A Multi-Atlas Deep Ensemble Network for Diagnosing Autism Spectrum Disorder'☆12Jun 3, 2025Updated 9 months ago
- ☆57Feb 15, 2024Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- DMFF-DTA: Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction☆19Feb 18, 2025Updated last year
- ☆12May 12, 2025Updated 10 months ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆141Jul 16, 2025Updated 8 months ago
- Leveraging protein-language models for virtual screening☆21Jun 5, 2024Updated last year
- PocketDTA☆38Nov 21, 2025Updated 4 months ago
- ☆16Dec 2, 2025Updated 3 months ago
- The Polaris datasets and benchmarks recipes☆13May 26, 2025Updated 10 months ago
- ☆32Mar 19, 2023Updated 3 years ago
- Source code for fitting thermodynamic models (MoCHI), downstream analyses and to reproduce all figures in the following publication: Mapp…☆22Jul 20, 2023Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- RAnking Markers for CEll Segmentation☆12Feb 22, 2022Updated 4 years ago
- Models that demonstrate the syntax and functionality of BioNetGen language and simulation tools.☆15May 30, 2023Updated 2 years ago
- ☆15Feb 28, 2023Updated 3 years ago
- Python library & CLI to create, view and edit PFB files☆12Feb 19, 2026Updated last month
- ☆50Sep 4, 2025Updated 6 months ago
- A structure checker in python☆24Nov 25, 2024Updated last year
- Guiding Attention for Self-Supervised Learning with Transformers☆12Feb 8, 2023Updated 3 years ago
- ☆13Nov 26, 2024Updated last year
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Sep 18, 2023Updated 2 years ago
- 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.
- Web client code for the MongoChem project☆10Mar 3, 2021Updated 5 years ago
- ☆14Jan 30, 2025Updated last year
- predict stability change upon mutation☆30Jun 28, 2024Updated last year
- Structure prediction of alternative protein conformations☆83Feb 24, 2025Updated last year
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆18Oct 21, 2025Updated 5 months ago
- ☆16Jan 19, 2026Updated 2 months ago
- Demo plugin for PyMOL with PyQt☆12Jun 14, 2019Updated 6 years ago