T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-learning for protein-specific alignment
☆32Feb 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:
- ☆47Jul 13, 2025Updated 11 months ago
- ☆10Oct 31, 2025Updated 7 months ago
- A Deep Learning Framework for Allosteric Site Prediction☆17May 21, 2025Updated last year
- 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☆82Apr 14, 2026Updated 2 months 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.
- Implementation for SuperWater☆51Jun 2, 2026Updated last week
- code for SeqDance/ESMDance, biophysics-informed protein language models☆60Jan 28, 2026Updated 4 months ago
- ☆14Jan 8, 2025Updated last year
- Structure-aware PRotein ligand INTeraction (SPRINT) is a ultrafast deep learning framework for drug-target interaction prediction.☆18Feb 19, 2026Updated 3 months ago
- ☆84Jan 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…☆61Dec 16, 2025Updated 5 months ago
- ☆29Oct 7, 2024Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Feb 6, 2026Updated 4 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.
- 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
- ☆123Jul 18, 2025Updated 10 months ago
- Protein function prediction using protein structures and deep graph neural networks.☆22Jan 24, 2025Updated last year
- 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☆20Feb 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)☆31Jan 23, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- ☆24Jan 9, 2025Updated last year
- ☆12Jul 31, 2020Updated 5 years ago
- ☆22Oct 2, 2024Updated last year
- Modelling protein conformational landscape with Alphafold☆59Aug 29, 2025Updated 9 months ago
- ☆20Oct 3, 2024Updated last year
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- ☆16Oct 27, 2024Updated last year
- A deep learning framework for deubiquitnase-substrate interaction identification☆13Jul 31, 2025Updated 10 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆10Jun 13, 2022Updated 4 years ago
- Multi-Task Topological Laplacian deep learning model that predicts binding free energy changes upon mutation☆13Dec 13, 2024Updated last year
- ☆23Apr 20, 2025Updated last year
- Toolkit for alphafold3 input and output files☆104Updated this week
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated 11 months ago
- ☆22Dec 15, 2024Updated last year