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Kwangsik Suh's Projects

characterizing_uncertainty_scripts icon characterizing_uncertainty_scripts

Scripts associated with the paper "Characterizing Uncertainty in Machine Learning for Chemistry". They show how the data for this paper were calculated.

chatgpt_plugin_naver_search icon chatgpt_plugin_naver_search

An intuitive Naver search integration plugin for ChatGPT, enhancing user experience. This plugin allows users to effortlessly search for various content (news, images, etc.) and receive results in a chat-friendly format.

chemical_vae icon chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

chemprop icon chemprop

Chemical Property Prediction with Graph Convolutional Networks

computer_aided_drug_discovery_kit icon 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.

comp_chem_colab icon comp_chem_colab

A useful collection of jupyter notebooks for computational chemists

corona-drug-discovery icon corona-drug-discovery

This is a solution for the Possible Drugs for Covid-19 . Binding scores of leading existing drugs (HIV inhibitors) are around -10 to -11 and around -13 for the drug Remdesivir which recently entered clinical testing. More negative the binding score is, better the drug is. The goal is to create a novel small molecule which can bind with the coronavi

covid-19-drug-and-vaccine-r-d-with-ai-machine-learning icon covid-19-drug-and-vaccine-r-d-with-ai-machine-learning

The way we discover drugs & vaccines is EXTREMELY inefficient. Something must have to be done here to decrease the future impacts of any kind of pandemic or biological warfare. We are accelerating drug discovery by leveraging machine learning algorithms to generate and create retro-synthesis pathways for drug molecule design and development.

cysdb_app icon cysdb_app

Integrating chemoproteomics, protein structures, and functional annotations to understand the role of cysteines in the human proteome.

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