3Dmol.js by 3dmol

WebGL accelerated JavaScript molecular graphics library

created at Oct. 2, 2014, 7:30 p.m.

Jupyter Notebook

29 +0

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teachopencadd by volkamerlab

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

created at Nov. 9, 2018, 1:15 p.m.

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30 +0

685 +5

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py4chemoinformatics by Mishima-syk

Python for chemoinformatics

created at Dec. 12, 2018, 6:39 a.m.

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16 +0

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GitHub
rdchiral by connorcoley

Wrapper for RDKit's RunReactants to improve stereochemistry handling

created at June 17, 2017, 1:57 p.m.

Jupyter Notebook

19 +0

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GitHub
summit by sustainable-processes

Optimising chemical reactions using machine learning

created at July 31, 2019, 3:13 p.m.

Jupyter Notebook

8 +0

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22 +1

GitHub