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This repository was archived by the owner on Oct 29, 2023. It is now read-only.

gwallison / openFF-build Public archive

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openFF-build

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make_CAS_ref.py

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11 lines (8 loc) · 182 Bytes

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openFF-build

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make_CAS_ref.py

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11 lines (8 loc) · 182 Bytes

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# -*- coding: utf-8 -*-

"""

Created on Tue Mar 30 21:09:24 2021

@author: Gary

"""

import core.process_CAS_ref_files as pCAS

_ = pCAS.processAll()

_ = pCAS.make_CompTox_syn_file()

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