D3Similarity

172.21.85.12

  • # 2D Similarity using openbabel with Tanimoto coefficient (Tc) values
    • 

  • # use MolShaCS to evalute the 3D-similarity
    •

75.4/75.5/75.6

  • # 75.4/75.5/75.6 /home/dddc/zyzhou/d3carp/Ligand_similarity/test
环境：
  • mamba activate zyzhou
安装方法：

miniforge环境

  • mamba create -n zyzhou python=3.10 -y
    • 

  • mamba activate zyzhou

rdkit

  • mamba install rdkit

openbabel

  • mamba install openbabel