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[WIP] Adds default SMILES and SELFIES alphabets and tokenizers #231

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[WIP] Adds default SMILES and SELFIES alphabets and tokenizers #231

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db89b28
Scaffolds a default SMILES alphabet and tokenizer
miguelgondu Aug 5, 2024
b9f5843
Merge branch 'dev' into feature-default-smiles-and-selfies-tokenizer
miguelgondu Aug 8, 2024
7b2c54a
Scaffolds an abstract tokenizer
miguelgondu Aug 8, 2024
f275392
Renames the list tokenizer to something more descriptive
miguelgondu Aug 8, 2024
40a94c6
Adds the character tokenizer
miguelgondu Aug 8, 2024
7135292
Adds and tests tokenizers for SMILES and SELFIES
miguelgondu Aug 8, 2024
8f5e1a9
Adds setup config to version tracking
miguelgondu Aug 8, 2024
2abe353
Moves tokenizers, adds a default max sequence length
miguelgondu Aug 8, 2024
adafd99
Renames tokenizers in test
miguelgondu Aug 8, 2024
a9069fc
Returns to the previous tokenizer
miguelgondu Aug 8, 2024
1db5ea8
Fixes an error on the regex pattern
miguelgondu Aug 8, 2024
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7 changes: 6 additions & 1 deletion pyproject.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -93,4 +93,9 @@ replace = 'version = "{new_version}"'
[[tool.bumpversion.files]]
filename = "src/poli/__init__.py"
search = '__version__ = "{current_version}"'
replace = '__version__ = "{new_version}"'
replace = '__version__ = "{new_version}"'

[[tool.bumpversion.files]]
filename = "setup.cfg"
search = 'version = "{current_version}"'
replace = 'version = "{new_version}"'
2 changes: 1 addition & 1 deletion setup.cfg
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
[metadata]
name = poli
version = "1.0.0.dev0"
version = "1.0.0.dev2"
author_email = [email protected]
description = Protein Objectives Library
long_description = file: README.md
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