Drug Response Analysis to Boolean Model Ensembles
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Updated
Nov 15, 2021 - Java
Drug Response Analysis to Boolean Model Ensembles
An SGC Open Chemistry Networks Project (number 20) dedicated to finding hits vs CHIKV nsp2 helicase based on a Virtual Screen of Enamine REAL compounds.
This project aims to develop a chemical probe of CHIKV-nsP3-macrodomain starting from a fragment screen
Contains relevant project files to publicly available tautomer database "Tautobase" for DataWarrior
📁study logs about Drug Discovery with AI
Bacterial porin permeation calculation examples for iapetus
miscellaneous of python scripts for drug discovery
Deep Learning for Chem
An artificial intelligence knowledge mining platform. #CareAlwaysInAllways
Classify acetylcholinesterase inhibitor with LightGBM
This repository shows how to use the Hugging Face Library for molecule generation.
CancerAI-Prediction of small molecules as potent inhibitors of various cancer targets using Artificial Intelligence (AI)
🍪 A cookiecutter template for the Laboratory of Artifical Chemical Intelligence (LIAC) at EPFL.
Automated processing of chemoproteomics data
Scaffolding homo sapiens enzymes inhibitors
Finding redundancies and similarities in SMILES datasets
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