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
- 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
- Database of Interacting Protein Structures (DIPS)☆98Updated last year
- Recurrent Geometric Network in Pytorch☆29Updated 4 years ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆37Updated 4 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
- A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)☆63Updated 2 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆61Updated 3 weeks ago
- Extract ligands from original PDB file☆10Updated 5 years ago
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆59Updated last year
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆55Updated 2 years ago
- MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphan…☆11Updated 2 years ago
- Predicting protein-ligand binding sites using deep convolutional neural network☆48Updated 6 months ago
- ☆68Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 2 months ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆27Updated 2 years ago
- ☆105Updated last year
- Computes a molecular graph for protein structures.☆58Updated this week
- ☆70Updated 2 years ago
- ☆29Updated last year
- DLPacker☆30Updated 7 months ago
- Code for our paper "Protein sequence design with a learned potential"☆80Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆40Updated last year
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- ☆32Updated 3 years ago
- Three-dimensional force fields fingerprints☆28Updated 3 years ago
- ☆36Updated last year