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  1. BCL_Mol2D_benchmark BCL_Mol2D_benchmark Public

    This repo contains scripts to perform the benchmark and sensitivity analysis in the paper BCL::Mol2D – a robust atom environment descriptor for QSAR modeling and lead optimization

    Shell 1

  2. peptide_binding_classA_GPCR_protocol_capture peptide_binding_classA_GPCR_protocol_capture Public

    Shell 1

  3. merck merck Public

    Forked from RuwanT/merck

    Merck Molecular Activity Challenge

    Python

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

    Forked from devinamatthews/molssi-sss-2017

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

    C++

  5. QM_2017_SSS_Team10 QM_2017_SSS_Team10 Public

    Forked from MolSSI-Education/QM_2017_SSS_Team10

    Python