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  1. Hamiltonian-Replica-Exchange Hamiltonian-Replica-Exchange Public

    Use replica exchange to enhance Free Energy Perturbation sampling to calculate relative binding Free energy

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  2. In-silico-Enymze-deisgn In-silico-Enymze-deisgn Public

    This is a project for in-silico Enzyme design, using Molaris-XG software

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  3. MM_2017_SSS_Team2 MM_2017_SSS_Team2 Public

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  4. molssi-sss-2017 molssi-sss-2017 Public

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    Computer Architecture and C++ courses from the MolSSI Software Summer School

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  5. oop_sprint oop_sprint Public

    Forked from MolSSI-Education/oop_sprint

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  6. SSS_2017_QuESt SSS_2017_QuESt Public

    Forked from MolSSI-Education/SSS_2017_QuESt

    The final project for the MolSSI 2017 summer school.

    Python