Comments (1)
I'll made it compatible with sqlachemy>=1.4.7 in this PR: #98. I was probably to quick to require >=2.0. New version to be released today
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Related Issues (20)
- parallelise fp file creation HOT 1
- add sqla query mol supplier HOT 1
- don't store 1.0 for all molecules in substructure search HOT 1
- error install HOT 1
- Multiple query support HOT 1
- Faced an Error while running with n_workers=70 HOT 1
- Tversky similarity HOT 3
- Problem while creating db file for MACCSKeys HOT 3
- NVRTCError HOT 2
- FPSim only supports integer ids for molecules HOT 2
- How to cite. HOT 2
- Import Error HOT 2
- FPSim2Cuda.py - "list index out of range" HOT 3
- Similarity Search with Bitvector rather than SMILES as Query? HOT 3
- Stereochemistry (tetrahedral, double-bond) options? HOT 4
- substructure SMARTS matching HOT 1
- similarity matrix id don't match smi ids. HOT 1
- Conda cant f HOT 1
- FPSim2CudaEngine TypeError: missing positional argument: 'pg_schema' HOT 1
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