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3,595 results

RDKit

1.13K subscribers

Bernhard Knasmueller
Chemistry with Python - an Introduction to RDKit

Learn how to perform basic chemistry operations with Python and RDKit. 0:00​​​​​ Intro 0:25 Project setup 0:45 The SMILES ...

16:43
Chemistry with Python - an Introduction to RDKit

53,181 views

4 years ago

Center for Computer-Assisted Synthesis
Substructure Filtering in RDKit

... things with rd kit which is you know can be kind of confusing at times so basically you just load the filter from rdkit this predefined ...

16:15
Substructure Filtering in RDKit

3,421 views

3 years ago

Code to Discovery
RDKit - Part 1

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

39:15
RDKit - Part 1

5,112 views

1 year ago

Machine Learning in Chemistry from Scratch
Generating Molecular Fingerprints using RDKit

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

31:49
Generating Molecular Fingerprints using RDKit

17,701 views

3 years ago

KNIME
Advanced chemistry  RDKit + KNIME + Python for the win!

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

1:03:35
Advanced chemistry RDKit + KNIME + Python for the win!

6,308 views

5 years ago

The Programming Mentor
How to setup RDKit and make visuals of coumpund Smilies. [Ep#1]

Ready to start your journey in cheminformatics? This beginner-friendly tutorial is your fast-track guide to setting up RDKit, the ...

9:26
How to setup RDKit and make visuals of coumpund Smilies. [Ep#1]

541 views

2 months ago

RDKit
Jeffrey Wagner: From RDKit to MD simulation in seconds: An introduction to Open Force Field

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 ...

26:24
Jeffrey Wagner: From RDKit to MD simulation in seconds: An introduction to Open Force Field

2,558 views

1 year ago

Code to Discovery
Morgan fingerprint and ECFPs - using Python and RDKit

In this video the focus is on generating Morgan fingerprints and ECFPs using open source softwares such as python, google colab ...

7:20
Morgan fingerprint and ECFPs - using Python and RDKit

3,897 views

1 year ago

Esben Bjerrum
Annotate Atoms in Jupyter notebooks with RDKit

https://www.wildcardconsulting.dk/learn-how-to-make-a-jupyter-notebook-widget-for-annotation-of-atom-properties/

0:19
Annotate Atoms in Jupyter notebooks with RDKit

1,038 views

6 years ago

for_code
[01] Introdução ao RDKit

Para conferir o material de aula acesse: ...

15:48
[01] Introdução ao RDKit

384 views

2 years ago

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Scikit-learn is a free software machine learning library for the Python programming language. Learn how to use it in this crash ...

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603,828 views

1 year ago

Crescent Silico
RDKit: Cheminformatics & Drug Discovery in Python (Course Intro)

Learn RDKit via systematic introduction & real projects for drug design applications, machine learning modeling, etc. Enroll now ...

1:49
RDKit: Cheminformatics & Drug Discovery in Python (Course Intro)

464 views

6 months ago

Code to Discovery
RDKit - Part 2

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

40:26
RDKit - Part 2

1,342 views

1 year ago