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Unleash the full potential of RDKit as you dive deep into the realm of chemoinformatics. Follow our step-by-step guide to harness ...

This video explains molecular fingerprints. It shows how to generate MACCS-keys, Avalon, Atom-pair, Topological-Torsions, ...

Jeff hi everyone uh I'm Jeff I'm the technical lead at open force field uh and today I want to show you how to go from an rdkit ...

Join Greg Landrum for this advanced chemistry webinar and find out how a blend of tools - RDKit, KNIME, and Python - is used ...

Embark on a journey through the fascinating world of RDKit! This tutorial is your key to unlocking the power of molecular magic, ...

In this video, I will show you step-by-step in this End-to-end Bioinformatics / Cheminformatics tutorial on how to use Data Science ...

This workshop uses Python scripting to explore and compare small molecules that bind to the SARS-CoV2 main protease. Work is ...

Calculating molecular descriptors using RDKit and Mordred. Follow the link to run this notebook in ...

Led by Alice Krebs and Greg Landrum at the KNIME Fall Summit 2020.

Here is the timestamps for key items that i covered this session- 1:01 : How to install anaconda 2:40 : How to create a virtual ...

This Google Colab notebook is designed to enable you to create your own libraries of molecules for virtual screening. The focus is ...

Learn how to use Python and machine learning to build a bioinformatics project for drug discovery. ✏️ Course developed by ...

In this workshop, Python scripting and libraries are used to explore ligand binding to enzymes. This course was developed by ...

Similarity Searching RDKit & Postgres using ChEMBL database.

... the cross-linking stress test and actually you'll be surprised but RDKit builds Omega fails nice very good we should stop there.

This talk forms part of the Skills4Scientists Series which has been organised as a joint venture between the Artificial Intelligence ...