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scikit-fingerprints 1.4.0
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@j-adamczyk j-adamczyk released this 04 May 20:39
· 46 commits to master since this release
v1.4.0
9b357a0
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GPG key ID: B5690EEEBB952194
Learn about vigilant mode.

Breaking changes

  • reduced default number of max_attempts in ConformerGenerator from 10000 to 1000, to greatly increase the speed for most use cases

New features and improvements

  • new fingerprints: USR, USRCAT
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