organic-chemistry topic
List
organic-chemistry repositories
global-chem
141
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20
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A Knowledge Graph of Common Chemical Names to their Molecular Definition
CASP-and-dataset-performance
43
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15
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Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
clash-of-chem
23
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9
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Clash of Chem is a thrilling multiplayer organic chemistry game where players compete to convert compounds using reagents in a race to achieve their goals.
Sterimol
19
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7
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Calculate Sterimol Parameters from Sructure Input/Output Files
wSterimol
24
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10
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Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
reaction-translation
26
Stars
8
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organic chemistry reaction prediction using NMT
examples
15
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19
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Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020