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- elements_molecules
- == Librairie Molmass ===== [[http://www.lfd.uci.edu/~gohlke/|Christoph Gohlke]] (University of Califo... nts.py & molmass.py # source : http://www.lfd.uci.edu/~gohlke/ # mars 2020 : adaptation python 3 from m... nts.py & molmass.py # source : http://www.lfd.uci.edu/~gohlke/ # mars 2020 : adaptation python 3 from m... nts.py & molmass.py # source : http://www.lfd.uci.edu/~gohlke/ # test des routines sur les formules chi
- progappchim
- nd Jupyter Notebooks]] Charles J. Weiss, J. Chem. Educ. 2021, 98, 2, 489–494 DOI: 10.1021/acs.jchemed.0... n graphique (//cf.// [[https://www2.chemistry.msu.edu/faculty/reusch/virttxtjml/rotconf1.htm|cet exempl... u disques)** * [[https://introcs.cs.princeton.edu/java/assignments/collisions.html|Molecular Dynami... Event-driven * [[https://algs4.cs.princeton.edu/61event/|Event-Driven Simulation]] * [[http
- notions_avancees
- comprehension.php]], yc suppression de lambda er reduce() * [[https://www.datacamp.com/community/tuto... à u" print(reponse) </code> ===== map, filter, reduce, lambda, pipe ===== * [[https://towardsdatasc... hon]] * [[https://medium.com/@valeria.aynbinder.edu/python-regular-expressions-cheat-sheet-cd0992c36f... tp://nbviewer.ipython.org/url/bender.astro.sunysb.edu/classes/python-science/lectures/python-classes.ip
- potentiel_energy_surface @teaching:progappchim:matplotlib_gallery
- --> H2 + H """ # ref : http://bulldog2.redlands.edu/facultyfolder/deweerd/tutorials/Tutorial-ContourP... }} ===== Références ===== * [[http://staff.um.edu.mt/jgri1/teaching/che2372/notes/10_st/04/v_surfac... re dans un article]] * [[http://www.wag.caltech.edu/home/jsu/Summary/GroundStateExamples.html]] (réac... al_energy_surface]] * [[http://www.personal.psu.edu/jba/publications/articles/23.pdf]] (HF + H --> H2
- pandas
- hon Data Analysis with pandas]] * [[https://www.edureka.co/blog/python-pandas-tutorial/|Python Pandas... ==== Datasets ==== * [[https://archive.ics.uci.edu/ml/datasets/Adult|Adult Data Set]] Predict whethe... sus Income" dataset * [[https://archive.ics.uci.edu/ml/datasets.php]] * [[https://towardsdatascienc
- ph-3d
- Md Mainul Hossain and Patrick MacCarthy J. Chem. Educ., 2014, 91 (2), pp 225–231 DOI: 10.1021/ed4002... e de l'article référencé dans Journal of Chemical Education : {{:teaching:progappchim:ph_topographic-0... ]] Garon C. Smith and Md Mainul Hossain, J. Chem. Educ., 2017, 94 (5), pp 598–605 DOI: 10.1021/acs.jche
- tkinter_gui_simple
- ismes|version en wiki]] * [[http://infohost.nmt.edu/tcc/help/pubs/tkinter/|Tkinter reference: a GUI f... ] * Base d'images pour test : [[http://sipi.usc.edu/database/]] - exemple : * [[http://sipi.usc.edu/database/database.php?volume=misc&image=10#top]]
- algos_entiers
- _premiers]] (améliorable) * [[http://anh.cs.luc.edu/331/code/factoring.py]] (intéressant) * [[http:
- calcul_matriciel_2012
- env python # -*- coding: UTF-8 -*- #http://www.siteduzero.com/tutoriel-3-223267-apprenez-a-programmer-e
- courbe_predominance_acide_2013
- ier/wiki/doku.php?id=floss:python # http://www.siteduzero.com/informatique/python/tutoriels # https://m
- jupyter
- 022 * [[https://medium.com/@valeria.aynbinder.edu/google-colab-a-tool-every-python-developer-and-da
- numpy_simple
- i/NumPy|Page Wikipédia]] * [[http://csc.ucdavis.edu/~chaos/courses/nlp/Software/NumPyBook.pdf|Guide t
- open_chemical_databases
- [http://zinc.docking.org/]] * [[http://bidd.nus.edu.sg/group/cjttd/]] ==== Données de wikipedia ====
- representation_molecules_2013
- molécule ''' link="http://chemapps.stolaf.edu/jmol/jmol.php?model="+SMILES return link def