Martin Šícho

I had to make some minor changes when playing around with DrugEx because some of the scripts would not execute correctly anymore and there was also an issue of high...

I can use the code in the repo to train my own DrugEx agent model and in that case the `designer.py` script works just as it should when I point...

Hi @XuhanLiu, I tried to pretrain the `GPT2Model` with your scripts, but even on a large data set of compounds (see below) the validity of the SMILES does not increase...

It would be nice if users had the option to store some data with the instances of `MolpherMol` and `MolpherAtom` (like it is possible in RDKit or other libraries). It...

Changes introduced after [v0.0.0b1](https://github.com/lich-uct/molpher-lib/releases/tag/v0.0.0b1) are not yet properly documented. They are part of the tutorial code examples, but the source code of these features generally lacks documentation so far. This...