You can use the https://github.com/iterative/datachain https://github.com/iterative/datachain mentioned by @dmpetrov to predict and draw (in SaaS) a molecular s

You can use the https://github.com/iterative/datachain https://github.com/iterative/datachain mentioned by @dmpetrov to predict and draw (in SaaS) a molecular structure. Not only can you predict, but you can also - enrich the PDF data with external PDB data, - calculate and evaluate sequence and structure-based predictions made by multiple custom models, - and optimize time and resources. I created some simple examples in this area a few months ago. Feel free to email me at mikhail@iterative.ai if you're interested in sharing my findings.