MolAICal Releases

3). 2021-12-19: MolAICal version 1.1.2 Release is published online on December 19, 2021. Fixing language problem: Adding formula QSAR and hydrogen function, etc.

2). 2021-10-09: MolAICal version 1.1 Release is published online on October 9, 2021. Adding functions of molecular docking, webserver and new deep learning models for binding affinity prediction; Updating molecular descriptor calculation, entropy calculation of MM/GBSA and so on.

1). 2020-04-15: Version 1.0 Release, the version 1.0 of MolAICal is finished in July, 2019. It is published online for the first time on April, 2020.














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