comp_chem_colab

A useful collection of jupyter notebooks for computational chemists.

Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
AIDD.ipynb		AIDD.ipynb
CNN.ipynb		CNN.ipynb
MD-simulation-Gromacs.ipynb		MD-simulation-Gromacs.ipynb
NN_keras.ipynb		NN_keras.ipynb
NN_tf.ipynb		NN_tf.ipynb
README.md		README.md
Tanimoto_similarity.ipynb		Tanimoto_similarity.ipynb
cnn_fingerprints_vs		cnn_fingerprints_vs
cnn_images_vs		cnn_images_vs
numpy_tf.ipynb		numpy_tf.ipynb
plot_roc_curve_visualization_api.ipynb		plot_roc_curve_visualization_api.ipynb
t-SNE_visualizing_chemical_space.ipynb		t-SNE_visualizing_chemical_space.ipynb

Provide feedback