diff --git a/_config.yml b/_config.yml index d1dd67d..ac03ad7 100644 --- a/_config.yml +++ b/_config.yml @@ -1,7 +1,7 @@ -title: NANO181 & NANO281 +title: Data Science in Materials Science email: ongsp@ucsd.edu 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 @@ -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 @@ -29,4 +33,9 @@ search_enabled: true search.heading_level: 6 kramdown: - toc_levels: 1..3 \ No newline at end of file + toc_levels: 1..3 + +callouts: + note: + title: Note + color: red \ No newline at end of file diff --git a/index.md b/index.md index 1c52b30..79ea4f4 100644 --- a/index.md +++ b/index.md @@ -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/). @@ -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 diff --git a/nanox81.yml b/nanox81.yml index 4bf23f0..7d85285 100644 --- a/nanox81.yml +++ b/nanox81.yml @@ -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 \ No newline at end of file + - pymatgen==2023.9.10 \ No newline at end of file