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Shyue Ping Ong committed Sep 27, 2023
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15 changes: 12 additions & 3 deletions _config.yml
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title: NANO181 & NANO281
title: Data Science in Materials Science
email: [email protected]
description: >- # this means to ignore newlines until "baseurl:"
UCSD NANO 181/281 Data Science in Materials Science is a course developed by Prof Shyue Ping Ong of UCSD. The aim is
NANO 181/281 Data Science in Materials Science is a course developed by Prof Shyue Ping Ong of UCSD. The aim is
to provide a comprehensive introduction into the application of data science to materials science.
#baseurl: ""
#url: https://pymatgen.org
Expand All @@ -20,6 +20,10 @@ aux_links:
GitHub: [https://github.com/materialsvirtuallab/nano281]
Materials Virtual Lab: [https://materialsvirtuallab.org]

heading_anchors: true

footer_content: "Copyright © 2019-2023 Shyue Ping Ong, Materials Virtual Lab"

# Enable or disable the site search
# Supports true (default) or false
search_enabled: true
Expand All @@ -29,4 +33,9 @@ search_enabled: true
search.heading_level: 6

kramdown:
toc_levels: 1..3
toc_levels: 1..3

callouts:
note:
title: Note
color: red
15 changes: 10 additions & 5 deletions index.md
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Expand Up @@ -34,8 +34,8 @@ In-lecture demos will be conducted using Jupyter notebooks, available [here](htt
The course is intended to be self-contained and all textbooks are optional.
However, the following are useful to have around:

1. The Elements of Statistical Learning: Data Mining, Inference, and Prediction,
Second Edition [Amazon](https://www.amazon.com/dp/0387848576/ref=cm_sw_em_r_mt_dp_U_Z8r8DbR3HMYRE),
1. The Elements of Statistical Learning: Data Mining, Inference, and Prediction, Second Edition
[Amazon](https://www.amazon.com/dp/0387848576/ref=cm_sw_em_r_mt_dp_U_Z8r8DbR3HMYRE),
or get the [free online version](https://web.stanford.edu/~hastie/Papers/ESLII.pdf).
2. Python Data Science Handbook. Buy from [Amazon](https://www.amazon.com/gp/product/1491912057/ref=ppx_yo_dt_b_asin_title_o00_s00?ie=UTF8&psc=1)
or get the [free online version](https://jakevdp.github.io/PythonDataScienceHandbook/).
Expand All @@ -47,12 +47,17 @@ final lab will be an open problem that will be determined at a later date and wi

# Programming language

All lectures and labs will be conducted in Python 3.9+. For most students, especially those that are new to python, you
can simply use [Google Colab] to run all lecture notebooks and do all labs.
All lectures and labs will be conducted in Python 3.9+.

For most students, especially those that are new to python, you can simply use the [Google Colab] cloud service to
run all lecture notebooks and do all labs. The advantage of using Google Colab is that you do not need bother with
installation of python and the necessary libraries in your local machine.

The main disadvantage of Google Colab is that you have to work in the cloud and often, the compute resources
provided will not be as fast as running things on your laptop or any high performance computing system of your
choosing. For serious work, you can follow the [instructions provided](setup) to install Python and
choosing.

For serious work, you can follow the [instructions provided](setup) to install Python and
the necessary libraries for this course.

## Using Google Colab
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10 changes: 5 additions & 5 deletions nanox81.yml
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Expand Up @@ -3,12 +3,12 @@ channels:
- defaults
- conda-forge
dependencies:
- python=3.9.13
- python=3.9.18
- jupyter=1.0.0
- matplotlib=3.5.2
- pandas==1.4.4
- scikit-learn==1.1.1
- seaborn=0.11.2
- pandas==2.1.1
- scikit-learn==1.2.2
- seaborn==0.12.2
- statsmodels=0.12.2
- pip:
- pymatgen==2022.9.21
- pymatgen==2023.9.10

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