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

... 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 ...

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

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

This tutorial deals with generating atom pair and topological torsion fingerprints using open-source cheminformatics packages.

RDKit: The Engine That Understands Molecules Every intelligent discovery system — from drug design to material innovation ...

Para conferir o material de aula acesse: ...

The video is a tutorial for generating molecular descriptors using RDKit. Link to the code: ...

In this video, we will be analyzing the chemical ingredients of cannabis sativa. We will be using Global-Chem to retrieve the list, ...

Chemical data models usually require a database to be able to deal with chemical structures to be utilized for structure based ...

Proposal link: https://pretalx.com/euroscipy-2023/talk/98ZVJH/ So you don't know JavaScript but know how to use python? Do you ...

Organic molecules can most easily be represented as strings such as SMILES, DeepSMILES, or SELFIES. In this video we learn ...

UPDATE after AQME 1.3: the w_dir_main option was removed. Now, the working PATH is not used in CSEARCH and is included ...

In this video, I'll be showing you how to draw and download molecules using RDkit #Pythonforchemists #chemistry ...

Link to RDKit notebook https://colab.research.google.com/drive/1fM88FMcTJytuMQwpDm392v2bmNQbZYNg Getting started with ...

Goal of the hands-on session: make sLLM model give accurate answer on the prompt (Does Tylenol comply with Lipinski's rule of ...

This short vedio explains with examples how to generate the structure of a chemical compound in python rdkit environment in ...

Github scripts: https://github.com/pritampanda15/Omixium_YouTube_Channel/tree/main/RDKit_Calculate_Mol_Properties Learn ...

Learn how to read molecule sdf files using the RDKit in Python. You can access full course by enrolling now (Udemy): ...

Welcome to Introduction to RDKit In this video, we will be passing installing RDKit and passing butanol into a Mol Object.

Dive into the fascinating world of molecular visualization with our comprehensive tutorial on RDKit! Whether you're a chemistry ...

This video will show you how to access the atom and bond features of a molecule using built-in RDKit functions. If you want to ...

UPDATE after AQME 1.3: the w_dir_main option was removed. Now, the working PATH is not used in CSEARCH and is included ...

This video will explain: How to download and install Miniconda How to download and install PyCharm How to download and ...