GitHub - bmanubay/open-forcefield-data: Datasets for open forcefield parameterization and development

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Datasets for open forcefield parameterization and development

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Name		Name	Last commit message	Last commit date
Latest commit History 128 Commits
Binary-Mixtures		Binary-Mixtures
Initial Molecule Choices		Initial Molecule Choices
Initial%20Molecule%20Choices		Initial%20Molecule%20Choices
Model-Systems		Model-Systems
Pure-Solvents		Pure-Solvents
Python		Python
AlkEthOH_chain_filt1.smi		AlkEthOH_chain_filt1.smi
AlkEthOH_rings_filt1.smi		AlkEthOH_rings_filt1.smi
DOIs-1.txt		DOIs-1.txt
cychex_dat.py		cychex_dat.py
cychex_gas_dat.py		cychex_gas_dat.py
data_for_MKGilson.py		data_for_MKGilson.py
tabular_cychex_data_for_Josh.csv		tabular_cychex_data_for_Josh.csv
tabular_data_for_MKG.csv		tabular_data_for_MKG.csv

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Datasets for open forcefield parameterization and development

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