Software Scientist at The Molecular Sciences Software Institute
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MolSSI-Education/python-package-best-practices
MolSSI-Education/python-package-best-practices PublicHands-on workshop showing good software development practices to create a Python package.
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WelbornGroup/ELECTRIC
WelbornGroup/ELECTRIC PublicELECTRIC: Electric fields Leveraged from multipole Expansion Calculations in Tinker Rapid Interface Code.
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Descriptor-Libraries/descriptor-libraries-framework
Descriptor-Libraries/descriptor-libraries-framework PublicA docker application for molecular libraries
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