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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