Drug Response Analysis to Boolean Model Ensembles

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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.

PIAWeb - a graphical web interface for PIA

This project aims to develop a chemical probe of CHIKV-nsP3-macrodomain starting from a fragment screen

lord doge snorting coca cola and doing meth

Massively parallel computation of chemical spaces in cloud environments with surge

CrossTx: Cross-cell line Transcriptomic Signature Predictions

Inspect what phenotypes are associated with a disease

Convolutional Neural Networks

This Streamlit app allows you to search for the most "druglike" molecules basing on the "Rule of five"

This repository aims to demystify statistical concepts within the context of drug discovery with ML. It provides clear explanations and practical examples tailored to researchers and professionals in the field. From descriptive statistics to inferential methods, this resource will empower you to make data-driven decisions in drug development.

Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest

miscellaneous of python scripts for drug discovery

Deep Learning for Chem

An artificial intelligence knowledge mining platform. #CareAlwaysInAllways

Classify acetylcholinesterase inhibitor with LightGBM