FastROCS TK 0.2.2¶
- Fixed a major bug that would cause very high shape tanimotos to be calculated when cached color atoms were present in the input database.
- Added symlink from SLES to SLED to work around OEToolkit issue of not recognizing those as equivalent systems.
- Querying the database with an empty molecule will no longer crash.
- Added BenchmarkDatabaseTransfer.py benchmark to determine the maximum speed being achieved when transferring database chunks across the bus.