Antoine Lacour

icon indicating an email [email protected]

icon company Helmholtz Institute for Pharmaceutical Research Saarland icon location Marie Curie Sklodowska PhD 🎓, Drug Hunter 💊, Creator of the CADD_Vault 💻

Results 2 comments of Antoine Lacour

Training scoring functions and updated version of PDBBind

Thanks for your answer. When using the load method without arguments, it starts training the model. However, I believe this is what I was suing previously and was getting low...

GNINA generating incorrect bond orders

Thanks for the quick answer, installing openbabel from source in WSL2 seems to work for now (without specifying `BABEL_DATADIR`), although I would like to avoid requiring the user of my...