Fluoriclogppka

Latest version: v0.2.7

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0.2.7

DGL, Torch versions were changed to be able to work on CentOS7 Linux versions

0.2.6

Fixed incompatible versions of dgl and torch libraries

0.2.5

New combined model shows better results than two separate for acids and amines.

0.2.4

0.2.3

Implemented experimental GNN model for predicting pKa and logP. The important thing is that it works much faster than h2o and shows similar results.

0.2.1

model paths fix.

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