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grimme-lab / MindlessGen

Mindless molecule generator in a Python package.
Apache License 2.0
20 stars 3 forks source link

GFN level now accessible #35

Closed jonathan-schoeps closed 1 month ago

jonathan-schoeps commented 1 month ago

closes #33 The GFN-level is now accessible via the .toml file or via a flag.