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rdkit_api / requirements.txt

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Add property calculator, molecular clustering, and scaffold analysis features

4eda0f0 about 2 months ago

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	# RDKit dependencies
	rdkit
	gradio==4.44.1
	huggingface_hub==0.19.4
	cirpy
	pubchempy
	psikit
	py3Dmol
	pyscf
	chemiscope
	ase
	plotly
	matplotlib
	pillow
	scikit-learn
	pandas