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1. Gallicchio-Lab/openmm_agbnp_plugin Gallicchio-Lab/openmm_agbnp_plugin Public

   An OpenMM plugin implementing the AGBNP implicit solvent model

   C++ 6 1

2. Gallicchio-Lab/femodel-tf-optimizer Gallicchio-Lab/femodel-tf-optimizer Public

   Maximum likelihood estimation with TensorFlow of the parameters of an analytical model of alchemical molecular binding

   Python 2

3. Gallicchio-Lab/openmm_sdm_workflow Gallicchio-Lab/openmm_sdm_workflow Public

   Example of the use of the single-decoupling method setup workflow

   Python 2 4

4. Gallicchio-Lab/AToM-OpenMM Gallicchio-Lab/AToM-OpenMM Public

   OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method

   Python 117 31

5. rajatkrpal/openmm_sdm_plugin rajatkrpal/openmm_sdm_plugin Public

   OpenMM plugin to implement single-decoupling method in alchemical free energy calculations

   C++ 6 3