Structure-aware PRotein ligand INTeraction (SPRINT) is a ultrafast deep learning framework for drug-target interaction prediction.
☆21Feb 19, 2026Updated 6 months ago
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 2 years ago
- ☆18Feb 2, 2026Updated 7 months ago
- A deep learning framework for deubiquitnase-substrate interaction identification☆13Jul 31, 2025Updated last year
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆35Jul 29, 2025Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆145Jul 16, 2025Updated last year
- 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.
- Docking Tool Benchmarking Workflow☆25Jul 17, 2024Updated 2 years ago
- Integrated physics-based and ligand-based modeling.☆70Oct 27, 2025Updated 10 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆30Oct 16, 2023Updated 2 years ago
- [EMNLP 2025]* FusionDTI utilises a Token-level Fusion module to effectively learn fine-grained information for Drug-Target Interaction Pr…☆40Mar 6, 2026Updated 6 months ago
- Building more accurate protein structures from backbone torsion angles☆16Mar 21, 2025Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago
- ☆16Dec 10, 2024Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆107Jul 30, 2024Updated 2 years ago
- Codebase of 'MADE-for-ASD: A Multi-Atlas Deep Ensemble Network for Diagnosing Autism Spectrum Disorder'☆14Jun 3, 2025Updated last year
- 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.
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆70Dec 16, 2024Updated last year
- ☆10Apr 8, 2026Updated 4 months ago
- scDrug: From scRNA-seq to Drug Repositioning☆46May 8, 2023Updated 3 years ago
- ☆61Feb 15, 2024Updated 2 years ago
- Official Implementation of "Doubly Mixed-Effects Gaussian Process Regression" (Jun Ho Yoon, Daniel P. Jeong, Seyoung Kim) (AISTATS 2022, …☆12Jul 13, 2022Updated 4 years ago
- ☆12May 12, 2025Updated last year
- Leveraging protein-language models for virtual screening☆25Jun 5, 2024Updated 2 years ago
- PocketDTA☆41Nov 21, 2025Updated 9 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆248Jan 26, 2026Updated 7 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆13Nov 26, 2024Updated last year
- Source code for fitting thermodynamic models (MoCHI), downstream analyses and to reproduce all figures in the following publication: Mapp…☆22Jul 20, 2023Updated 3 years ago
- ☆34Mar 19, 2023Updated 3 years ago
- ☆14Jan 30, 2025Updated last year
- RAnking Markers for CEll Segmentation☆12Feb 22, 2022Updated 4 years ago
- Guiding Attention for Self-Supervised Learning with Transformers☆12Feb 8, 2023Updated 3 years ago
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Sep 18, 2023Updated 2 years ago
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆32Feb 24, 2025Updated last year
- Models that demonstrate the syntax and functionality of BioNetGen language and simulation tools.☆15May 30, 2023Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆47Oct 2, 2025Updated 11 months ago
- ☆15Feb 28, 2023Updated 3 years ago
- Protein-ligand structure prediction☆241Jul 31, 2025Updated last year
- Context-Adaptive Inference: A Unified Statistical and Foundation-Model View☆13Jul 25, 2026Updated last month
- ☆20Jul 24, 2026Updated last month
- Structure prediction of alternative protein conformations☆86Feb 24, 2025Updated last year
- Web client code for the MongoChem project☆10Mar 3, 2021Updated 5 years ago