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  • Shenzhen Bay Laboratory
  • Shenzhen, Guangdong, China

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  1. PLUMED2_ITS PLUMED2_ITS Public

    The integrated tempering sampling as a bias in PLUMED2

    C++ 9 1

  2. plumed2_its_full plumed2_its_full Public

    The full version of PLUMED2 with the function of ITS

    C++ 3 2

  3. plumed2_TALOS_full plumed2_TALOS_full Public

    The modified version of PLUMED2 included targeted adversarial learning optimizied sampling (TALOS)

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  4. AirNet AirNet Public

    A new GNN-based deep molecular model by Mindspore

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  5. PLUMED2_TICA PLUMED2_TICA Public

    The time-lagged independent component analysis (TICA) method in PLUMED2

    C++ 1 2

  6. plumed2_improve plumed2_improve Public

    Some modification of PLUMED2

    C++ 1