chembl / target_predictions
☆12Updated 5 years ago
Alternatives and similar repositories for target_predictions
Users that are interested in target_predictions are comparing it to the libraries listed below
Sorting:
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated 10 months ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- This code allows is for diversity picking across multiple different, and potentially overlapping chemical compound classes, while at the …☆10Updated 4 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆19Updated 3 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- A collection of IPython Notebooks on chemoinformatics☆12Updated 9 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Benchmark interpretation of QSAR models☆15Updated 2 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated last year
- ☆32Updated 3 weeks ago
- ☆33Updated last year
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆40Updated 5 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 7 months ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆24Updated 3 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆39Updated 2 weeks ago
- MD pharmacophores and virtual screening☆33Updated last year
- ☆51Updated 2 years ago
- comparing drug classification methods☆19Updated 5 years ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆25Updated 3 weeks ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated 3 months ago
- PyDock Tutorial☆31Updated 6 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 6 months ago
- Computational Analysis of Novel Drug Opportunities☆36Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 2 weeks ago
- A knowledge-based method for determining small molecule binding "hotspots".☆35Updated last year