SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)
☆65May 9, 2020Updated 5 years ago
Alternatives and similar repositories for SkipGNN
Users that are interested in SkipGNN are comparing it to the libraries listed below
Sorting:
- ☆10Apr 11, 2022Updated 3 years ago
- Kdrew's scripts for handling protein complex map data☆14Jun 12, 2025Updated 9 months ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Oct 22, 2020Updated 5 years ago
- ☆11Oct 31, 2021Updated 4 years ago
- ☆19Aug 6, 2019Updated 6 years ago
- ☆13Oct 8, 2021Updated 4 years ago
- JAEGER is a deep generative approach for small-molecule design☆30Dec 21, 2021Updated 4 years ago
- ☆31Jun 29, 2018Updated 7 years ago
- An implementation of the Solubility Forecast Index (SFI)☆24Oct 6, 2025Updated 5 months ago
- Explainable Substructure Partition Fingerprint for Protein, Drug, and More (NeurIPS 19 LMRL Workshop)☆18Oct 30, 2019Updated 6 years ago
- Phylogenetic pathway–dependent recognition of fixed substitutions and parallel mutations☆11Sep 18, 2025Updated 6 months ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- ☆30May 15, 2025Updated 10 months ago
- Perception and labelling of stereogenic centres in chemical structures☆20Jan 30, 2024Updated 2 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Oct 15, 2022Updated 3 years ago
- using graph convolutional neural network and spaital transcriptomics data to infer cell-cell interactions☆55Jun 15, 2021Updated 4 years ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆39Mar 5, 2026Updated 2 weeks ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆115Jul 25, 2024Updated last year
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Feb 7, 2017Updated 9 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 6 years ago
- ☆17Jul 30, 2024Updated last year
- ICML 2020 Paper: Latent Variable Modelling with Hyperbolic Normalizing Flows☆54Dec 8, 2022Updated 3 years ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 4 years ago
- Molecular standardisation tool☆77Aug 23, 2020Updated 5 years ago
- ☆10Feb 20, 2021Updated 5 years ago
- The R Bioconductor package for scMAGeCK.☆13Apr 20, 2024Updated last year
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆80Jul 17, 2023Updated 2 years ago
- Pathway-based sparse deep neural network☆19Nov 9, 2020Updated 5 years ago
- coming soon☆28May 9, 2023Updated 2 years ago
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15May 5, 2018Updated 7 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Sep 7, 2020Updated 5 years ago
- Model Evaluation Toolkit☆27Apr 17, 2019Updated 6 years ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Sep 7, 2023Updated 2 years ago
- ☆40Apr 24, 2018Updated 7 years ago
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- A graph-based deep learning framework for life science☆123Aug 3, 2023Updated 2 years ago
- Graph neural network (GNN) for molecular property prediction (3D structure)☆104Nov 28, 2020Updated 5 years ago
- Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods☆48Apr 26, 2019Updated 6 years ago