Skip to content
@ZheLi-Lab

ZheLi-Lab

Popular repositories Loading

  1. The_CAR_enhanced_adaptive_sampling_method The_CAR_enhanced_adaptive_sampling_method Public

    The convergence-adaptive roundtrip enhanced sampling method that enables rapid and accurate FEP calculations.

    Python 9 1

  2. Alchemd-toolkit Alchemd-toolkit Public

    Alchemd is a Python-based CADD (Computer-Aided Drug Design) application specialized in free energy perturbation (FEP) calculations using alchemical transformations. The toolkit provides a complete …

    Python 9 1

  3. REPF_restraint_para_opt REPF_restraint_para_opt Public

    Jupyter Notebook 3

  4. DC-ABFE_paper_Alchemd DC-ABFE_paper_Alchemd Public

    The code of performing the DC-ABFE simulation and the related data.

    Python 3

  5. State-Function-based-free-energy-correction-SFC- State-Function-based-free-energy-correction-SFC- Public

    Python 2 1

  6. Weighted_cc Weighted_cc Public

    Forked from zlisysu/Weighted_cc

    Python

Repositories

Showing 10 of 13 repositories

Top languages

Loading…

Most used topics

Loading…