diamondspark / PSG-BARLinks
This is the code for our paper Ligand Binding Prediction using Protein Structure Graphs and Residual Graph Attention Networks
☆11Updated 3 years ago
Alternatives and similar repositories for PSG-BAR
Users that are interested in PSG-BAR are comparing it to the libraries listed below
Sorting:
- Repository of all EJP lab computational projects☆13Updated this week
- High-throughput framework for running molecular simulations for METL☆20Updated last month
- Scoring methods for predicting the DDG upon protein mutation☆16Updated 2 years ago
- ☆33Updated last year
- Pretrained METL models with minimal dependencies☆15Updated last month
- ☆22Updated 2 years ago
- ☆34Updated last year
- ☆13Updated 2 years ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆32Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- ☆39Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆34Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- ☆28Updated 3 years ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- Protein Sequence Evolutionary Information Language Model☆13Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆17Updated 10 months ago
- Some scripts that I keep using over and over.☆20Updated 4 months ago
- Python rich client for visual protein Sequence to Structure Analysis☆18Updated last month
- scripts to find PBD structures for cancer driver proteins☆31Updated last month
- ☆23Updated 5 months ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆22Updated 8 months ago
- ☆15Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆13Updated last year
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆15Updated 2 years ago