Learning Chemistry from Moment to Moment

Final Project for CS229 Fall 2018
Completed by Colin Dickens and Allegra Latimer

There is no data included in this repo, only the code used for data analysis/visualization.

Please refer to 213-report.pdf or see below for information about the project.

Name		Name	Last commit message	Last commit date
Latest commit History 82 Commits
DFT		DFT
catboost		catboost
convnet		convnet
report_as_png		report_as_png
.gitignore		.gitignore
213-report.pdf		213-report.pdf
KRR_opt.py		KRR_opt.py
ML_prep.py		ML_prep.py
PlotFormat.py		PlotFormat.py
README.md		README.md
RF_feature_imp.py		RF_feature_imp.py
RF_opt.py		RF_opt.py
SVR_opt.py		SVR_opt.py
feature_example.py		feature_example.py
filters.py		filters.py
learning_curve.py		learning_curve.py
makeDB.py		makeDB.py
makepairs.py		makepairs.py
motivation_figs.py		motivation_figs.py
plot_feature_imp_moments.py		plot_feature_imp_moments.py
plot_lc.py		plot_lc.py
plot_parity.py		plot_parity.py
pull_rawdata.sh		pull_rawdata.sh
pull_rawdata_a.sh		pull_rawdata_a.sh
scrape.py		scrape.py

colinfd/ChemLearn