From 92b80a9d348dc1582976340b074166a6281ea392 Mon Sep 17 00:00:00 2001 From: Kohulan Rajan Date: Wed, 14 Aug 2024 10:30:45 +0200 Subject: [PATCH 1/4] chore(main): release 0.1.0 --- CHANGELOG.md | 44 ++++++++++++++++++++++++++++++++++++++++++++ setup.py | 2 +- 2 files changed, 45 insertions(+), 1 deletion(-) create mode 100644 CHANGELOG.md diff --git a/CHANGELOG.md b/CHANGELOG.md new file mode 100644 index 0000000..198c711 --- /dev/null +++ b/CHANGELOG.md @@ -0,0 +1,44 @@ +# Changelog + +## 0.1.0 (2024-08-14) + + +### Features + +* add confidence while prediction ([fb8dc93](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/fb8dc932015b0a7e7bb3d55a452f28ee8a51425a)) +* add detailed docstrings and documentation ([9db9eef](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/9db9eefc2e668bc94fac3d5d6f0dc6f67928a2a9)) +* add rdkit and readthedocs config ([ca979c2](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/ca979c21742f879cebfe86e17f612f6adafccfc4)) +* Add tests, improve workflow and add .gitignore ([9255b41](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/9255b419eca7bbf0bf05dd847e3d04709cf3fbde)) +* Added support for conda package ([2ae890b](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/2ae890b24ddbc6c9b8d949a1b7b850187f760a3a)) +* create release-please.yml ([cf2cb30](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/cf2cb30f8d500190b4440b2c7f6398360b5c0f37)) +* improved README.md ([afd9dc3](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/afd9dc3b65a46d790707b8597d9c68082b6210e8)) +* Input SMILES Canonicalisation done using CDK instead of RDKit ([c83e4f4](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/c83e4f42b5ad882f8dbed3a832a29146a00cc416)) +* Remove image ([ca0e2e2](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/ca0e2e2124b4f23f35f14f4f03c0715d2010bdea)) +* updated models ([d45654e](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/d45654efdff1919e20d7ed8d6fc0ce567294f97b)) + + +### Bug Fixes + +* add missing requirements ([cbe9519](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/cbe9519f138c2dcd75869f41327f9df4df8ab854)) +* conda install instructions ([7ed9f0d](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/7ed9f0d1b167e7eef6b278cd025a672e807a4d6e)) +* Do not show TensorFlow warnings while loading ([ecc8687](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/ecc868702e0baaf74eb4fc8ed7d63a50ea2ff7cf)) +* **docs:** fixed typo in readMe ([945478e](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/945478e1c1d39c705c24b12e15fc046b5bbd89e8)) +* Error with documentation imports ([5b4675a](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/5b4675af0ea614351a5e4b7f1956213b6f8c704b)) +* GitHub url ([56cb302](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/56cb302234bd48e6452509997017d0e8f9ba76a4)) +* import error tensorflow ([149cd30](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/149cd30bbe87313151e87f22cecc2230902643bc)) +* include doctree information ([b58e56a](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/b58e56a136d391ad886774b0fde0010e0f7816f2)) +* Installation instructions ([ba5daf4](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/ba5daf468e4eab67056d06c21313c15010e78107)) +* model input length ([61035c5](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/61035c5375c0edb69c00fba3bf4c5dd90d9873ba)) +* Remove RDKit requirement ([220a93c](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/220a93c7f4e8e42e618ef546575999cca065e3a0)) +* Remove subprocess unzip ([e7a5eca](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/e7a5eca050658b8aca542c60bc12c48e21e9dc33)) +* remove unused imports ([84a6e06](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/84a6e0687d1e98442a7b4fa672cf844cca48f753)) +* Remove unused imports ([13ae6b8](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/13ae6b80564f05e62088a2862b159ef85c4a093a)) +* Remove unwanted requirements ([1eab987](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/1eab98743fd3d9061476eab0ccdfb3264040d21b)) +* Run tests only with Python 3.10 ([68cd77e](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/68cd77e8a46954f5a7593fcb3f0af187914a3490)) +* support for python versions 3.7 and above ([e7bb840](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/e7bb8403f13c4360987b80b1f540ed6567654765)) +* Update DOI ([6dec565](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/6dec565cf23a446953a443d74093c9589eb16e59)) +* update logo README.md ([3fa5a41](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/3fa5a41d5cea3f0083fa26c897809a567fb3070f)) +* update requirements.txt ([105ea95](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/105ea9596c453a78c7748f396e11bff7f86b30aa)) +* Update TRC logo ([518537b](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/518537b62703a69d66014fc913f0fd1b88ae2d04)) +* updated docstrings ([7056acc](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/7056acc42ed19115360f4d1733120325e39a9092)) +* use rdkit, improve fucntions and resolve issues ([786fe32](https://github.com/Kohulan/Smiles-TO-iUpac-Translator/commit/786fe32bf8d4b15b7d9ba083fb1125692487949b)) diff --git a/setup.py b/setup.py index eb9bb80..e9c7526 100644 --- a/setup.py +++ b/setup.py @@ -15,7 +15,7 @@ setuptools.setup( name="STOUT-pypi", - version="2.0.7", + version="0.1.0", author="Kohulan Rajan", author_email="kohulan.rajan@uni-jena.de", maintainer="Kohulan Rajan", From 22779bda3a7e1d3d7b9bdefbf2fbf3d00f0f8ff2 Mon Sep 17 00:00:00 2001 From: Kohulan Rajan Date: Wed, 14 Aug 2024 10:33:52 +0200 Subject: [PATCH 2/4] Update CHANGELOG.md --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 198c711..8b1d0f8 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,6 +1,6 @@ # Changelog -## 0.1.0 (2024-08-14) +## 2.1.0 (2024-08-14) ### Features From 1ec7dc9960b6e29fc1350ac8518c73c3e29a0ed5 Mon Sep 17 00:00:00 2001 From: Kohulan Rajan Date: Wed, 14 Aug 2024 10:35:14 +0200 Subject: [PATCH 3/4] chore(main): release 2.1.0 --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index e9c7526..84cbf6e 100644 --- a/setup.py +++ b/setup.py @@ -15,7 +15,7 @@ setuptools.setup( name="STOUT-pypi", - version="0.1.0", + version="2.1.0", author="Kohulan Rajan", author_email="kohulan.rajan@uni-jena.de", maintainer="Kohulan Rajan", From a11a65139f1408d931eb18ab8fd1a28b0a235ba8 Mon Sep 17 00:00:00 2001 From: Kohulan Rajan Date: Wed, 14 Aug 2024 10:36:03 +0200 Subject: [PATCH 4/4] chore(main): release 2.1.0 --- STOUT/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/STOUT/__init__.py b/STOUT/__init__.py index d6cf829..6eaf66d 100644 --- a/STOUT/__init__.py +++ b/STOUT/__init__.py @@ -26,7 +26,7 @@ """ -__version__ = "2.0.7" +__version__ = "2.1.0" __all__ = [ "STOUT",