MLatom 3.1.1 is released
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.models.methodscan be directly accessed via
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_directoryoption in the Python API
- We also updated the manual of MLatom here: https://xacs.xmu.edu.cn/docs/mlatom.