A Ph.D. candidate in Green Group at MIT focus on cheminformatics / quantum chemistry / machine learning / scientific modeling
- Cambridge, MA
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02:37
(UTC -04:00) - https://orcid.org/0000-0003-0144-5696
- in/xiaorui-dong
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rxntp
rxntp PublicRXNTP is a lightweight package for analyzing chemical reaction templates written in Python.
Python
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conformer_generation
conformer_generation PublicA module with expertise in molecular and transition state conformer generation
Python
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ReactionMechanismGenerator/RMG-Py
ReactionMechanismGenerator/RMG-Py PublicPython version of the amazing Reaction Mechanism Generator (RMG).
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ReactionMechanismGenerator/RMG-website
ReactionMechanismGenerator/RMG-website PublicA Django-powered website for Reaction Mechanism Generator (RMG)
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ReactionMechanismGenerator/ARC
ReactionMechanismGenerator/ARC PublicARC - Automatic Rate Calculator
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