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MDAnalysis 2.4.3

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@cbouy cbouy released this 07 Aug 18:17
8b6e4f5
Description Value
MDAnalysis version 2.4.3
Accuracy 99.19%
Number of molecules fetched 2,372,174
Number of molecules processed 2,166,327
Number of molecules failed 17,577

Link to substructures prone to failing

Changes:

  • Updated to ChEMBL 33
  • Updated RDKit to 2022.09.1