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Releases: datamol-io/safe

0.1.9

09 Jul 18:52
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0.1.9
d4610e7
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0.1.9 Latest
Latest

📦 Uncategorized

  • Update data_utils.py
  • ruff in CI
Assets 2
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0.1.8

22 May 04:23
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0.1.8
f3ca70e
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0.1.8

📦 Uncategorized

  • Fix/accelerate
Assets 2
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0.1.7

10 May 15:51
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0.1.7
55a3808
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0.1.7

📦 Uncategorized

  • Fix Stereo issues on some bond slicing
  • wip
Assets 2
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0.1.6

11 Apr 15:23
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0.1.6
d6f4271
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0.1.6

🚀 Features

  • Add Google Analytics support

🐛 Fixes

  • Fix Error in Digit Counting That mess up Fused Rings

📦 Uncategorized

  • Fix/encdec
Assets 2
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0.1.5

14 Jan 00:22
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0.1.5
3838c36
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0.1.5

🐛 Fixes

  • Fix decoding fragments containing square brackets
Assets 2
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0.1.4

02 Jan 19:56
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0.1.4
d02a0e7
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0.1.4

🐛 Fixes

  • Fix RDKit SMILES parsing

📦 Uncategorized

  • Add example for extracting representation.
Assets 2
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0.1.3

08 Dec 17:52
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0.1.3
2178e5c
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0.1.3

🚀 Features

  • Add rdkit as pypi dep

📦 Uncategorized

  • fix viz
Assets 2
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0.1.2

09 Nov 14:03
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0.1.2
e1e2cbd
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0.1.2

🐛 Fixes

  • Fix bug in canonical due to for loop on set
Assets 2
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0.1.1

28 Oct 15:53
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0.1.1
187d49c
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0.1.1
  • no changes
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0.1.0

28 Oct 15:51
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0.1.0
324e020
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0.1.0

📦 Uncategorized

  • Test split
  • [draft] Training script code
  • Slurm
  • Attempt to fix docs
  • Improve docs and launcher
  • Slurm
  • Sampling with SAFE
  • Paper
  • Paper
  • make sure tokenizer can be loaded from pretrained in repo
Assets 2
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