Related Issues (20)
- Use SQLAlchemy to work with the database HOT 1
- organize command-line processing and move to click HOT 4
- Remove vendered use of peewee HOT 1
- Use importlib.resources instead of __file__ HOT 1
- Can we specify the environmental radius when generating the mmpdb? HOT 11
- Which "cut-smarts" patterns (i.e. fragmentation parameters) are used by default for Transform function? HOT 1
- mmpdb transform behaves unexpectedly HOT 5
- Error when using "--out mmpa" HOT 4
- [docs] README.md: create installation guide HOT 5
- AttributeError: module '__main__' has no attribute '__spec__'
- Support for CXSMILES HOT 4
- Obtain list of matched pairs with common core from an ID. HOT 4
- Automatically get MMPs for a given data set HOT 4
- Turning on --property flag leading to a smaller number of transformed structures
- Unexpected generated molecule with double cuts MMPDB HOT 4
- Possible SQL injection vulnerability HOT 2
- Release the latest version into PyPI? HOT 2
- How to solve "sqlite3.OperationalError: database is locked" error?
- Error of "sqlite3.OperationalError: database is locked" HOT 1
- How to use SQL to get the table of all rules in the mmpdb file, as well as the number of pairs, and statistics for each rule?
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from mmpdb.