Merge pull request #678 from Sgvkamalakar/main

Predicting Molecular Properties
abhisheks008 · Jun 23, 2024 · 28a26ce · 28a26ce
2 parents 2f6cbd5 + 37b6b2a
commit 28a26ce
Show file tree

Hide file tree

Showing 24 changed files with 612,883 additions and 0 deletions.
diff --git a/Molecular Property Prediction/Dataset/README.md b/Molecular Property Prediction/Dataset/README.md
@@ -0,0 +1,10 @@
+## Molecular Property Prediction & EDA - Dataset
+
+The dataset for this project is sourced from the "Predicting Molecular Properties" competition hosted on Kaggle, titled [CHAMPS Scalar Coupling](https://www.kaggle.com/competitions/champs-scalar-coupling/data).
+
+Download the following files from the above link to work on this repo:
+- train.csv
+- structures.csv
+- potential_energy.csv
+- mulliken_charges.csv
+- dipole_moments.csv
diff --git a/Molecular Property Prediction/Dataset/bond_lengths.csv b/Molecular Property Prediction/Dataset/bond_lengths.csv