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  • Python - 100天从新手到大师

    Python Updated Mar 24, 2024
  • TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

    Jupyter Notebook Creative Commons Attribution 4.0 International Updated Jun 7, 2021
  • alchemlyb Public

    Forked from alchemistry/alchemlyb

    the simple alchemistry library

    Python BSD 3-Clause "New" or "Revised" License Updated Jun 19, 2018
  • Lomap Public

    Forked from MobleyLab/Lomap

    Alchemical mutation scoring map

    Python 1 MIT License Updated Feb 9, 2018
  • the simple alchemistry test set

    Python BSD 3-Clause "New" or "Revised" License Updated Nov 14, 2017
  • An open tool implementing some recommended practices for analyzing alchemical free energy calculations

    Python GNU Lesser General Public License v2.1 Updated Aug 28, 2017
  • chmutil Public

    Forked from CRBS/chmutil

    Utilities to run Cascaded Hierarchical Model (CHM) jobs on cluster of computers

    Python Other Updated Mar 14, 2017