T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-learning for protein-specific alignment
☆30Feb 24, 2025Updated last year
Alternatives and similar repositories for T-ALPHA
Users that are interested in T-ALPHA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆44Jul 13, 2025Updated 8 months ago
- ☆10Oct 31, 2025Updated 4 months ago
- A Deep Learning Framework for Allosteric Site Prediction☆15May 21, 2025Updated 10 months ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆18Nov 29, 2022Updated 3 years ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆77Mar 2, 2026Updated 3 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- code for SeqDance/ESMDance, biophysics-informed protein language models☆56Jan 28, 2026Updated last month
- ☆14Jan 8, 2025Updated last year
- Structure-aware PRotein ligand INTeraction (SPRINT) is a ultrafast deep learning framework for drug-target interaction prediction.☆15Feb 19, 2026Updated last month
- ☆82Jan 8, 2024Updated 2 years ago
- Structure-Informed Protein Language Model☆38Feb 15, 2024Updated 2 years ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆57Dec 16, 2025Updated 3 months ago
- Protein function prediction using protein structures and deep graph neural networks.☆20Jan 24, 2025Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆173Feb 6, 2026Updated last month
- ☆29Oct 7, 2024Updated last year
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- ☆114Jul 18, 2025Updated 8 months ago
- Sniffing out new drugs☆23Feb 1, 2023Updated 3 years ago
- CAPLA: improved prediction of protein-ligand binding affinity by a deep learning approach based on a cross-attention mechanism☆25Nov 9, 2022Updated 3 years ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆69Dec 16, 2024Updated last year
- DMFF-DTA: Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction☆19Feb 18, 2025Updated last year
- ☆25Jan 30, 2025Updated last year
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆30Jan 23, 2025Updated last year
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 11 months ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- ☆24Jan 9, 2025Updated last year
- ☆12Jul 31, 2020Updated 5 years ago
- ☆21Oct 2, 2024Updated last year
- Modelling protein conformational landscape with Alphafold☆56Aug 29, 2025Updated 6 months ago
- ☆20Oct 3, 2024Updated last year
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- ☆17Oct 27, 2024Updated last year
- A deep learning framework for deubiquitnase-substrate interaction identification☆12Jul 31, 2025Updated 7 months ago
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- 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.
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Jun 13, 2022Updated 3 years ago
- Multi-Task Topological Laplacian deep learning model that predicts binding free energy changes upon mutation☆13Dec 13, 2024Updated last year
- ☆22Apr 20, 2025Updated 11 months ago
- Toolkit for alphafold3 input and output files☆97Mar 1, 2026Updated 3 weeks ago
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆83Jan 8, 2025Updated last year
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated 8 months ago
- ☆22Dec 15, 2024Updated last year