nanxstats / targetnet
Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data
☆11Updated 2 months ago
Related projects ⓘ
Alternatives and complementary repositories for targetnet
- Matrix factorization and deep learning for molecular property prediction☆12Updated 5 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆16Updated last year
- Mol2vec notebooks for use with Binder service☆29Updated 6 years ago
- Code available for the quantitative pharmacophores☆10Updated 2 years ago
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15Updated 6 years ago
- Generative RNN for molecule de novo design☆17Updated 2 years ago
- ☆10Updated last year
- ☆12Updated last year
- Derivation of structural alerts from bioactivity data sets☆29Updated 8 years ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆8Updated 8 years ago
- Structure Generator based on R-Group (SGRG)☆9Updated 5 years ago
- Modeling Tanimoto distributions for RDKit☆16Updated 4 years ago
- ☆14Updated 7 years ago
- research the 2019-nCov and design the inhibitors with AI☆13Updated 2 years ago
- Scripts for running lsc model on other datasets☆13Updated 5 years ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆14Updated 3 years ago
- ☆15Updated 6 years ago
- Official repository for multitask deep learning models.☆18Updated 3 years ago
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆10Updated last year
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆15Updated last year
- ☆14Updated 2 years ago
- Computational Analysis of Novel Drug Opportunities☆35Updated this week
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Updated last year
- ☆14Updated 2 years ago
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Updated 7 years ago
- ☆16Updated last year
- Paper for release☆11Updated 3 years ago
- Python API for Pharmer☆11Updated 5 years ago
- Information sharing portal about nCov/SARS/MERS for drug discovery☆38Updated last month