Skip to content

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

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Draft
wants to merge 11 commits into
base: dev
Choose a base branch
from
Draft

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

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
11 commits
Select commit Hold shift + click to select a range
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
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
7 changes: 6 additions & 1 deletion pyproject.toml
View file
Open in desktop
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
View file
Open in desktop
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
Expand Down
Loading
Loading