Some scripts (mainly Python 3) which I made during my studies of Bioinformatics at University of Chemistry and Technology in Prague (http://www.vscht.cz/?jazyk=en)
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Updated
Oct 19, 2016 - HTML
Some scripts (mainly Python 3) which I made during my studies of Bioinformatics at University of Chemistry and Technology in Prague (http://www.vscht.cz/?jazyk=en)
The source for the ReactSearch project's website.
Course hometasks & additional links/materials on "Programming foundations for chemistry problems solving" - ITMO University, 2017 (some materials might be in Russian)
A set of utilities to help students with biological calculations. Offline capabilities included.
A software for analysis and fast virtual screen of KEGG_DRUG molecular database of accepted drugs classificated by ATC codes
Prediction and mechanistic analysis of Drug-Induced Liver Injury (DILI) based on chemical structure
"free style" reannalysis of Ahneman et al using latest ml/xai modalities. super rough, but fun.
Web-based chemistry e-learning tool to test molecular geometry knowledge
The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the machine learning research group GMUM.
Template to generate TMAP from SMILES
pytcpl is a streamlined Python package that incorporates the levels 4 to 6 of tcpl+tcplFit2, providing concentration-response curve fitting and hit-calling. It utilizes the Invitrodb version 4.1 release (September 21, 2023) as backend database.
Unified machine learning model for predicting polymer properties through human language instructions
LabIMotion Schema provides a contract for the Template used and details the properties, types, and other constraints that the Template should have.
Cheminformatics & pharmaceutical research blog
The Website of the Ramiréz Lab
This repository is the collection point of reference data for the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).
🔬📚 Galaxy Tool wrappers
My personal website, served at https://cthoyt.com
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