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MLatom 3.23.5

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@dralgroup dralgroup released this 27 Jul 08:19
· 13 commits to main since this release

What's new in 3.23.5

  • Sampling now writes the training/subtraining/validation/test and cross-validation index files correctly to output paths that contain spaces (and portably across platforms), replacing shell cp/mv calls with shutil. — @rayair250-droid and Pavlo O. Dral

Install: pip install -U mlatom

Full release notes: http://mlatom.com/docs/releases.html