baldassarreFe / graphqa
Protein quality assessment using Graph Convolutional Networks
☆28Updated 2 years ago
Alternatives and similar repositories for graphqa:
Users that are interested in graphqa are comparing it to the libraries listed below
- Database of Interacting Protein Structures (DIPS)☆99Updated last year
- Code for Fold2Seq paper from ICML 2021☆50Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆48Updated last year
- ☆106Updated 2 years ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- Code for our paper "Protein sequence design with a learned potential"☆79Updated last year
- ☆79Updated last year
- ☆39Updated last year
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆37Updated 4 years ago
- Graph neural network for generating novel amino acid sequences that fold into proteins with predetermined topologies.☆59Updated 4 years ago
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆55Updated 2 years ago
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆59Updated last year
- Computes a molecular graph for protein structures.☆58Updated last week
- Recurrent Geometric Network in Pytorch☆29Updated 4 years ago
- ☆25Updated 3 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 4 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆107Updated last year
- ☆71Updated 2 years ago
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆79Updated 4 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 3 months ago
- A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)☆63Updated 2 years ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆84Updated last year
- ☆68Updated 2 years ago
- ☆18Updated 4 years ago
- Generative model for molecular distance geometry☆39Updated 2 years ago
- ☆52Updated 8 months ago
- Extract ligands from original PDB file☆10Updated 5 years ago
- LM-GVP: A Generalizable Deep Learning Framework for Protein Property Prediction from Sequence and Structure☆56Updated last year