ICO: Icospherical Chemical Objects

3D molecules, purturbation and projection onto a icosahedron world `sphere' for unfolding into 2D hexagonal picture

Name		Name	Last commit message	Last commit date
Latest commit History 38 Commits
.idea		.idea
Animation_and_images		Animation_and_images
Ico_1_map_montages		Ico_1_map_montages
Ico_1_maps		Ico_1_maps
JMolColors-master/JMolColors-master		JMolColors-master/JMolColors-master
binarystl		binarystl
data		data
dataset_creator		dataset_creator
icosahedrons		icosahedrons
projection		projection
.gitignore		.gitignore
1M_icosahedron_list_level3.npy		1M_icosahedron_list_level3.npy
Create_BBBP_dataset.ipynb		Create_BBBP_dataset.ipynb
Create_Delaney_Dataset.ipynb		Create_Delaney_Dataset.ipynb
Create_FreeSolv_Dataset.ipynb		Create_FreeSolv_Dataset.ipynb
Create_Lipophilicity_Dataset.ipynb		Create_Lipophilicity_Dataset.ipynb
Create_PDBBind_datasets.ipynb		Create_PDBBind_datasets.ipynb
Create_QM7_Dataset.ipynb		Create_QM7_Dataset.ipynb
Creating_PDBBind_datasets_2020_version.ipynb		Creating_PDBBind_datasets_2020_version.ipynb
Generating dataset.ipynb		Generating dataset.ipynb
Hacking face code.ipynb		Hacking face code.ipynb
Hacking_1K_dataset(RSC2020).ipynb		Hacking_1K_dataset(RSC2020).ipynb
Hacking_PDBBinddataCore.ipynb		Hacking_PDBBinddataCore.ipynb
Manual.ipynb		Manual.ipynb
Manual.md		Manual.md
PHF pictures.ipynb		PHF pictures.ipynb
README.md		README.md
TestModule.ipynb		TestModule.ipynb
Untitled2.ipynb		Untitled2.ipynb
normalisation.ipynb		normalisation.ipynb

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