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1

Python for Chemists
Christian Hill ; Christian Hill

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Python for Chemists
Kiyoto Aramis Tanemura ; Diego Sierra-Costa ; Kenneth M. Merz ; et al.
ACS In Focus ISBN: 9780841299252

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Data science for Chemists: Integrating and evaluating the use of interactive digital python notebooks in a large enrollment undergraduate biochemistry course
Rebecca Brunk ; Kriti Shukla ; Bryant L. Hutson ; et al.
Journal of Chemical Education. 101:3643-3655

4. Education

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Integrating Python into an Undergraduate Mathematics for Chemists Course
Geoffrey R. Hutchison
ACS Symposium Series ISBN: 9780841298194

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Python for chemists
Tanemura, Kiyoto Aramis ; Merz, Kenneth M. ; Tanemura, Kiyoto Aramis ; et al.

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Python Programming for Chemist
Dr. Manash Protim Borpuzari ; Dr. Manash Protim Borpuzari
KDPublications;

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Introduction to Machine Learning for Chemists: An Undergraduate Course Using Python Notebooks for Visualization, Data Processing, Data Analysis, and Data Modeling
Deborah Lafuente ; Brenda Cohen ; Guillermo Fiorini ; et al.

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COMPUTATIONAL VISUALIZATION OF 3D BRAVAIS LATTICES USING PYTHON
null Jyoti Singh ; Sarita Passey ; null Anjali ; et al.
RASAYAN Journal of Chemistry. 18:678-696

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11

py.Aroma: An Intuitive Graphical User Interface for Diverse Aromaticity Analyses.
Wang, Zhe
Chemistry (2624-8549); Dec2024, Vol. 6 Issue 6, p1692-1703, 12p

GRAPHICAL user interface... PYTHON programming langu... AROMATICITY PACKAGING design CHEMISTS

*Academic Journal*

12

PyCRDFT: A Python package to evaluate chemical reactivity descriptors within conceptual DFT.
Guerrero-Gutiérrez, Oscar Xavier ; Acosta-García, Ashley ; Vela, Aberto
Journal of Chemical Sciences. Mar2026, Vol. 138 Issue 1, p1-9. 9p.

*Academic Journal*

13

PYTHON PROGRAM FOR STRUCTURE AND MOLECULAR FORMULA OF ORGANIC COMPOUNDS: AN ALTERNATIVE THEORETICAL APPROACH
Hemant Verma ; Jyoti Singh ; Sarita Passey
RASAYAN Journal of Chemistry. 17:1460-1472

*Academic Journal*

14

Copolymerization Reactivity Ratio Inference: Determining Confidence Contours in Parameter Space via a Bayesian Hierarchical Approach.
Reischke, Robert
Macromolecular Theory & Simulations; May2023, Vol. 32 Issue 3, p1-11, 11p

NONLINEAR estimation PARAMETER estimation COPOLYMERIZATION PYTHON programming langu... CONFIDENCE COPOLYMERS …

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15

A Journey with THeSeuSS: Automated Python Tool for Modeling IR and Raman Vibrational Spectra of Molecules and Solids
Boziki, Ariadni ; Mebenga, Frédéric Ngono ; Fernandes, Philippe ; et al.

Condensed Matter - Mater... Physics - Computational...

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16

Metis: a python-based user interface to collect expert feedback for generative chemistry models
Janosch Menke ; Yasmine Nahal ; Esben Jannik Bjerrum ; et al.
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-9 (2024)

De novo drug design Preference learning Human-in-the-loop Machine learning User interface Information technology …

*Academic Journal*

17

autodE: Automated Calculation of Reaction Energy Profiles— Application to Organic and Organometallic Reactions.
Young, Tom A. ; Silcock, Joseph J. ; Sterling, Alistair J. ; et al.
Angewandte Chemie International Edition; 2/19/2021, Vol. 60 Issue 8, p4266-4274, 9p

ELECTRONIC packaging ELECTRONIC structure HYDROFORMYLATION CHEMISTS PYTHON programming langu... OXIDATIVE addition

*Academic Journal*

18

Large Language Models for Chemists : Applications and Insights
Zhiling Zheng ; Zhiling Zheng

Chemistry--Data processi... Artificial intelligence Natural language process...

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19

Scientific Computing for Chemists: An Undergraduate Course in Simulations, Data Processing, and Visualization.
Weiss, Charles J.
Journal of Chemical Education. May2017, Vol. 94 Issue 5, p592-597. 6p.

SCIENTIFIC computing PYTHON programming langu... CHEMISTRY education in u...

*Academic Journal*

20

Python for chemists.
Mason, D. B.
Choice: Current Reviews for Academic Libraries. Oct2024, Vol. 62 Issue 2, p158-158. 1/5p.

Python for Chemists (Boo... Hill, Christian Python programming langu... Chemists Nonfiction

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