We have released the version 3.1.1 of MLatom with improvements in the performance and bug fixes.

Here are some notable changes of this version:

• Now the mlatom.data.molecule, mlatom.data.molecular_database, and mlatom.models.methods can be directly accessed via mlatom.molecule, mlatom.molecular_database, and mlatom.methods. Previous codes related are still valid.
• The speed of predicting with ANI methods and models is greatly improved. The slowing down problem of the prediction for these models was solved too.
• For the interfaces with the MNDO and other programs, their output files can be saved by using the working_directory option in the Python API
• We also updated the manual of MLatom here: https://xacs.xmu.edu.cn/docs/mlatom.