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- progappchim
- libraries/samples-public/html/notebooks/chemistry/chemical_elements_data-01.ipynb|application sur les donnée... lobal-chem: A General Public Dictionary of Common Chemical Names to their Molecular Definition]] * [[htt... ps://www.globalchemistry.org/|Global-Chem: Common Chemical Names Dictionary]] * [[https://pypi.org/project... l-shaker: A peptide string building for expanding chemical dataset combinations.]] * [[https://cocktail-
- open_chemical_databases
- databank ==== * [[http://en.wikipedia.org/wiki/Chemical_database|Chemical databases]] +... * [[http://www.mtdcadd.com/]] * [[http://www.drugbank.ca/]] * [[ht... e]] * [[http://en.wikipedia.org/wiki/Category:Chemical_substances]] * [[http://www.cheminfo.org/wikipe... [http://www.jcheminf.com/content/7/1/10|Wikipedia Chemical Structure Explorer: substructure and similarity s
- openbabel_jmol
- w.jcheminf.com/content/3/1/33|Open Babel: An open chemical toolbox]], Noel M O'Boyle, Michael Banck, Craig A... nt/7/1/23/abstract|InChI, the IUPAC International Chemical Identifier]] Stephen R Heller, Alan McNaught, Igo
- scikit_learn
- ractor|ChemDataExtractor]], automatically extract chemical information from scientific documents. Cf. [[http... aExtractor: A Toolkit for Automated Extraction of Chemical Information from the Scientific Literature]] Matt
- solvents_data_class
- r) --> 9000 = miscible self.fo = fo # chemical formula def table(solvent_list): """print a ... ent in Debye, solubility in water (g/100g water), chemical formula # 9999 --> not applicable; 9000 --> misci
- algos_divers
- ants * ... Problèmes non résolus * [[parsing_chemical_formula|Décomposition de formules chimiques]] (an
- collection_namedtuple_exemple
- paces et/ou des virgules <code python namedtuple-chemical_elements-01.py> #!/usr/bin/env python # -*- codin
- jupyter
- emples en chimie : * {{ :teaching:progappchim:chemical_elements_data-01.ipynb |}} : librairie python sur
- ph-3d
- la figure de l'article référencé dans Journal of Chemical Education : {{:teaching:progappchim:ph_topograph
- rdkit
- micalDepiction_RDKITUGM_201609.pdf|Higher Quality Chemical Depictions: Lessons Learned and Advice]] John May
- potentiel_energy_surface @teaching:progappchim:matplotlib_gallery
- ier height of the H+H2→H2+H reaction, Journal of Chemical Physics. 5/15/1994, Vol. 100 Issue 10, p7410 V