bayesianflow-for-chem 2.0.4__py3-none-any.whl → 2.0.5__py3-none-any.whl

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Files changed (8) hide show
  1. bayesianflow_for_chem/__init__.py +1 -1
  2. bayesianflow_for_chem/cli.py +1 -3
  3. {bayesianflow_for_chem-2.0.4.dist-info → bayesianflow_for_chem-2.0.5.dist-info}/METADATA +1 -1
  4. {bayesianflow_for_chem-2.0.4.dist-info → bayesianflow_for_chem-2.0.5.dist-info}/RECORD +8 -8
  5. {bayesianflow_for_chem-2.0.4.dist-info → bayesianflow_for_chem-2.0.5.dist-info}/WHEEL +0 -0
  6. {bayesianflow_for_chem-2.0.4.dist-info → bayesianflow_for_chem-2.0.5.dist-info}/entry_points.txt +0 -0
  7. {bayesianflow_for_chem-2.0.4.dist-info → bayesianflow_for_chem-2.0.5.dist-info}/licenses/LICENSE +0 -0
  8. {bayesianflow_for_chem-2.0.4.dist-info → bayesianflow_for_chem-2.0.5.dist-info}/top_level.txt +0 -0
bayesianflow_for_chem/__init__.py CHANGED
@@ -18,7 +18,7 @@ __all__ = [
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  "MLP",
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  "EnsembleChemBFN",
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  ]
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- __version__ = "2.0.4"
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+ __version__ = "2.0.5"
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  __author__ = "Nianze A. Tao (Omozawa Sueno)"
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bayesianflow_for_chem/cli.py CHANGED
@@ -377,9 +377,7 @@ def main_script(version: str) -> None:
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  def selfies2token(s):
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  return torch.tensor(
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- [1]
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- + [vocab_dict.get(i, default=unknown_idx) for i in split_selfies(s)]
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- + [2],
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+ [1] + [vocab_dict.get(i, unknown_idx) for i in split_selfies(s)] + [2],
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  dtype=torch.long,
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  )
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{bayesianflow_for_chem-2.0.4.dist-info → bayesianflow_for_chem-2.0.5.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: bayesianflow_for_chem
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- Version: 2.0.4
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+ Version: 2.0.5
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  Summary: Bayesian flow network framework for Chemistry
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  Home-page: https://augus1999.github.io/bayesian-flow-network-for-chemistry/
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  Author: Nianze A. Tao
{bayesianflow_for_chem-2.0.4.dist-info → bayesianflow_for_chem-2.0.5.dist-info}/RECORD RENAMED
@@ -1,5 +1,5 @@
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- bayesianflow_for_chem/__init__.py,sha256=kw8IG5vTcd5pRA83G8le9G2mct9lGY-ZOWCE1vALiNU,612
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- bayesianflow_for_chem/cli.py,sha256=25KdLHOBTVyhq_OqT1783GX-8MiokArpaC7l_i87XnE,22843
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+ bayesianflow_for_chem/__init__.py,sha256=U8ExDm5IRa-OPOLgt8VfjMDAiCmARiJonIKnZ8AVDQ0,612
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+ bayesianflow_for_chem/cli.py,sha256=g5pjXymycpchlgRE6SKr0LjTBjUl6MFHnFdQiKjcE3Q,22803
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  bayesianflow_for_chem/data.py,sha256=Pl0gGWHmMKTKHpsxznvLgYPCwwlLNL7nqH19Vipjkxs,6584
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  bayesianflow_for_chem/model.py,sha256=QF15BLpUjEpUCneTOHoU6MswvxArPfbFMiOHjwJ9JrM,52230
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  bayesianflow_for_chem/scorer.py,sha256=gQFUlkyxitch02ntqcRh1ZS8aondKLynW5U6NfTQTb4,4084
@@ -7,9 +7,9 @@ bayesianflow_for_chem/spectra.py,sha256=Ba9ib1aDvTtDYbH3b4d-lIty3ZSQMu7jwehuV2Km
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  bayesianflow_for_chem/tool.py,sha256=JSlKrar1vVouTRUJBYU6lc5AQmAIaexvpUA3W3oQcKs,21284
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  bayesianflow_for_chem/train.py,sha256=jYkhSguW50lrcTEydCQ20yig_mmc1j7WH9KmVwBCTAo,9727
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  bayesianflow_for_chem/vocab.txt,sha256=HgtAZmpWYk4y8PqEVC4vqut1vE75DfRKE_10s2UW0rU,790
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- bayesianflow_for_chem-2.0.4.dist-info/licenses/LICENSE,sha256=hIahDEOTzuHCU5J2nd07LWwkLW7Hko4UFO__ffsvB-8,34523
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- bayesianflow_for_chem-2.0.4.dist-info/METADATA,sha256=uAUUMHTGzHhhD2l3CJYSddvignNpLRDLtxQCzaIIp9A,6057
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- bayesianflow_for_chem-2.0.4.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- bayesianflow_for_chem-2.0.4.dist-info/entry_points.txt,sha256=N63RMoJsr8rxuKxc7Fj802SL8J5AlpCoPkS8E3IFPLI,54
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- bayesianflow_for_chem-2.0.4.dist-info/top_level.txt,sha256=KHsanI3BMCt8D9Qpze2ycrF6nMa3PyojgO6eS1c8kco,22
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- bayesianflow_for_chem-2.0.4.dist-info/RECORD,,
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+ bayesianflow_for_chem-2.0.5.dist-info/licenses/LICENSE,sha256=hIahDEOTzuHCU5J2nd07LWwkLW7Hko4UFO__ffsvB-8,34523
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+ bayesianflow_for_chem-2.0.5.dist-info/METADATA,sha256=qCd0LnD66eQbWlTvKDpHZHtJKmy9NQogm_k9_amEt2s,6057
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+ bayesianflow_for_chem-2.0.5.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ bayesianflow_for_chem-2.0.5.dist-info/entry_points.txt,sha256=N63RMoJsr8rxuKxc7Fj802SL8J5AlpCoPkS8E3IFPLI,54
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+ bayesianflow_for_chem-2.0.5.dist-info/top_level.txt,sha256=KHsanI3BMCt8D9Qpze2ycrF6nMa3PyojgO6eS1c8kco,22
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+ bayesianflow_for_chem-2.0.5.dist-info/RECORD,,