malllabiisc / ProteinGCN
ProteinGCN: Protein model quality assessment using Graph Convolutional Networks
☆118Updated 8 months ago
Alternatives and similar repositories for ProteinGCN:
Users that are interested in ProteinGCN are comparing it to the libraries listed below
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 4 years ago
- Literature of deep learning for graphs in Chemistry and Biology☆198Updated 4 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆52Updated last year
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆55Updated 6 years ago
- ☆165Updated 3 years ago
- Protein-compound affinity prediction through unified RNN-CNN☆143Updated 9 months ago
- a novel DTA predition method using graph neural network☆73Updated last year
- ☆181Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆275Updated 4 years ago
- Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆65Updated 4 years ago
- A PyTorch implementation of GCN with mutual attention for protein-protein interaction prediction☆60Updated 3 years ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆166Updated last year
- The official implementation of the Molecule Attention Transformer.☆245Updated 5 years ago
- This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional …☆162Updated 4 years ago
- Protein quality assessment using Graph Convolutional Networks☆29Updated 2 years ago
- Codes and models for the paper "Learning Unknown from Correlations: Graph Neural Network for Inter-novel-protein Interaction Prediction".☆79Updated 3 years ago
- ☆98Updated 4 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆206Updated 2 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆170Updated 6 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆188Updated 2 years ago
- Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)☆137Updated 6 years ago
- ☆81Updated last year
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆150Updated 2 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆42Updated 5 years ago
- Computes a molecular graph for protein structures.☆58Updated last week
- NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions☆77Updated 3 years ago
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆102Updated 4 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆52Updated 4 years ago
- InterpretableDTIP☆20Updated 6 years ago
- ☆67Updated 4 years ago