When surfing on the internet, i discover that there is useful repo. I have attempted and it is great that i can use GPU to accelerate the docking speed as well as use many ligands instead of only one. So, can you make python library to run in vscode and anaconda? It is better when i can do it with python. Currently, I am handling many ligands in cmd (or python but more perplexity) and convert log.csv to log.txt by python code. I think that it takes a long time to write many lines of useless code as the way i am doing. I hope that someone can make it easier with only python library.
When surfing on the internet, i discover that there is useful repo. I have attempted and it is great that i can use GPU to accelerate the docking speed as well as use many ligands instead of only one. So, can you make python library to run in vscode and anaconda? It is better when i can do it with python. Currently, I am handling many ligands in cmd (or python but more perplexity) and convert log.csv to log.txt by python code. I think that it takes a long time to write many lines of useless code as the way i am doing. I hope that someone can make it easier with only python library.