Related Issues (20)
- Rearchitect code so single backend is aware of all databases
- Support returning only (and all) results better than a similarity cutoff
- Add ability to specify GPU bitcount from server startup
- Port fingerprint folding to GPU
- Switch CPU sorting from home-spun bubble sort HOT 1
- Add ability to merge multiple fsim files into one
- Make arg parsing not terrible
- Can't create Fingerprint databases with more than ~4gb file size
- Sort fingerprint databases by number of on-bits, use to pre-screen
- building error HOT 7
- Structure fingerprint not matching HOT 3
- De-duplicate based on unique smiles
- GPUSimilarity doesn't build with TravisCI
- When creating fsim file, skip invalid smiles and dump them to an error smiles file
- GPUSim returns N IDs, not N unique smiles
- Return total results count along with results HOT 1
- Can't get results for search query HOT 3
- gpu server launching issue HOT 4
- Merging multiple databases not working HOT 1
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