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2 | 2 |
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3 | 3 | This repository provides source code for Maximov MA, Galukhin AV, and Gor GY, "Pore Size Distribution of Silica Colloidal Crystals from Nitrogen Adsorption Isotherms", Langmuir 2019 (accepted) |
4 | 4 |
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5 | | -In short, it generates a kernel of adsorption and desorption isotherms using Frenkel-Halsey-Hill and Derjaguin-Broekhoff-de Boer theories and extracts the pore size distribution using Non-Negative Least Squares regression with Tikhonov (ridge) regularization and Generalized Cross-validation. |
| 5 | +In short, it generates a kernel of adsorption and desorption isotherms using Frenkel-Halsey-Hill and Derjaguin-Broekhoff-de Boer theories and extracts the pore size distribution using Non-Negative Least Squares regression with Tikhonov (ridge) regularization and Generalized Cross-Validation. |
6 | 6 |
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7 | | - |
| 7 | + |
8 | 8 |
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9 | 9 | Quick start |
10 | 10 | =========== |
11 | | -To run examples from docs, run ```pip install . && pip install -r requirements.docs.txt && jupyter notebook``` in terminal/cmd and open the notebooks in your browser. Python 3.5+ is required for the source code, 3.6+ is required for the notebooks with examples. |
| 11 | +To install the package without cloning the project, run ```pip install dbdb```. |
12 | 12 |
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13 | | -To install the package without cloning the project, run ```pip install dbdb``` |
| 13 | +To run examples from docs, clone the project ```git clone https://github.com/2xmax/dbdb.git && cd dbdb```, run ```pip install . && pip install -r requirements.docs.txt && jupyter notebook``` in terminal/cmd and open the notebooks in your browser. Python 3.5+ is required for the source code, 3.6+ is required for the notebooks with examples. |
14 | 14 |
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15 | 15 | Description of notebooks: |
16 | | - - [psd_n2.ipynb](/docs/psd_n2.ipynb) - quick introduction based on the article data |
17 | | -- [maximov2019lang_figures.ipynb](/docs/maximov2019lang_figures.ipynb) - reproduced pictures from the current article |
18 | | -- [galukhin2019lang_figures.ipynb](/docs/galukhin2019lang_figures.ipynb) - reproduced pictures from the [previous article](https://doi.org/10.1021/acs.langmuir.8b03476) in series |
19 | | -- [psd_arc.psd](/docs/psd_n2.ipynb) - application of FHH and DBdB theories on data from [Cychosz, Katie A., et al., Langmuir 28.34 (2012): 12647-12654.](https://doi.org/10.1021/la302362h) |
| 16 | + - [psd_n2.ipynb](https://nbviewer.jupyter.org/github/2xmax/dbdb/blob/master/docs/psd_n2.ipynb) - quick introduction based on the article data |
| 17 | +- [maximov2019lang_figures.ipynb](https://nbviewer.jupyter.org/github/2xmax/dbdb/blob/master/docs/maximov2019lang_figures.ipynb) - reproduced pictures from the current article |
| 18 | +- [galukhin2019lang_figures.ipynb](https://nbviewer.jupyter.org/github/2xmax/dbdb/blob/master/docs/galukhin2019lang_figures.ipynb) - reproduced pictures from the [previous article](https://doi.org/10.1021/acs.langmuir.8b03476) in series |
| 19 | +- [psd_arc.psd](https://nbviewer.jupyter.org/github/2xmax/dbdb/blob/master/docs/psd_arc.ipynb) - application of FHH and DBdB theories on data from [Cychosz, Katie A., et al., Langmuir 28.34 (2012): 12647-12654.](https://doi.org/10.1021/la302362h) |
20 | 20 |
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21 | | -BibTeX citation: |
| 21 | +Kernels |
| 22 | +=============== |
| 23 | +Pre-calculated kernels for the article are available on the [releases page](https://github.com/2xmax/dbdb/releases). If you want to reparametrize it, go to docs/maximov2019lang_figures.ipynb and see how it was done. |
| 24 | + |
| 25 | +BibTeX citation |
22 | 26 | =============== |
23 | 27 | ``` |
24 | 28 | @article{maximov2019opals, |
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