nanxstats / targetnetLinks
Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data
☆11Updated last year
Alternatives and similar repositories for targetnet
Users that are interested in targetnet are comparing it to the libraries listed below
Sorting:
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15Updated 7 years ago
- ☆13Updated 8 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 11 years ago
- Gromacs molecular dynamics simulation analysis scripts☆10Updated 3 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated last week
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Updated 4 years ago
- Official repository for multitask deep learning models.☆20Updated 4 years ago
- ☆11Updated 6 years ago
- RDKit code for the JCIM article☆17Updated 12 years ago
- ☆17Updated 2 years ago
- Scripts for running lsc model on other datasets☆13Updated 6 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 2 years ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Updated 4 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Updated 3 years ago
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Updated last year
- ☆17Updated 2 years ago
- ☆14Updated 3 years ago
- ☆16Updated 7 years ago
- ☆11Updated last year
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 5 years ago
- Data repository for pkasolver☆13Updated 3 years ago
- ☆12Updated 4 years ago
- ☆12Updated 4 years ago
- Automatic prototype based drug generation☆13Updated 7 years ago
- Atomic Charge Calculator II (ACC II) is an application for fast calculation of partial atomic charges.☆15Updated 2 weeks ago