chemical-descriptors

There are 0 repository under chemical-descriptors topic.

francescopatane96 / Computer_aided_drug_discovery_kit
This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.
chemoinformatics pharmacoinformatics biotechnology cancer-research chemical-descriptors computational-drug-discovery descriptors drug-discovery drug-repurposing fingerprints machine-learning padel randomforestclassifier padel-descriptors
Language:Jupyter Notebook 13
Daria-cloud / Classification-of-chemical-compounds
Classification of chemical compounds with scikit-learn
machine-learning chemical-descriptors chemical-compounds scikit-learn
Language:Jupyter Notebook 1
peterpaohuang / tapir
A Python Framework for Integrating Classical and Quantum Mechanical Simulation Data, Experimental Data, and Cheminformatics into a Unified Predictive Engine for Macromolecular Design
chemical-descriptors thermo-physical-descriptors polymer-db smiles machine-learning python scikit-learn automation webscraper protein-data-bank experimental-data data-analysis data-visualization
Language:Python 1

francescopatane96 / Computer_aided_drug_discovery_kit