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Kwangsik Suh's Projects

pycon_2014 icon pycon_2014

How to get started with Machine Learning - linear regression example code

quantum-machine-learning-introduction icon quantum-machine-learning-introduction

Lectures on hybrid quantum-classical machine learning given during "VI Pyrenees Winter School Quantum Information Meeting for Barcelona's Community" on 14-17.02.2023, Setcases, Spain

refdnn icon refdnn

RefDNN: a reference drug based neural network for more accurate prediction of anticancer drug resistance (Scientific Reports)

reinvent icon reinvent

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

reinvent-hitl icon reinvent-hitl

Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".

release icon release

Deep Reinforcement Learning for de-novo Drug Design

result-data-analyzer icon result-data-analyzer

A RESULT DATA SCRAPPER AND ANALYZER with CAPTCHA SOLVER using tesseract-OCR, PANDAS dataframe and automation in SELENIUM.

rhofold icon rhofold

Open source code for RhoFold: Fast and Accurate RNA 3D Structure Prediction with Deep Learning.

rlhf icon rlhf

Collection of links, tutorials and best practices of how to collect the data and build end-to-end RLHF system to finetune Generative AI models

rpa icon rpa

AI Bots - Robotic Processing automation Python and Julia lang scripts to support automating repetitive tasks

rxn_yields icon rxn_yields

Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc81d) and data augmentation strategies (https://doi.org/10.26434/chemrxiv.13286741).

scicompforchemists icon scicompforchemists

Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.

seed icon seed

Structural Encoding for Evolutionary Drug Design

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