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chore(main): release 1.0.0 #2

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39 changes: 39 additions & 0 deletions CHANGELOG.md
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# Changelog

## 1.0.0 (2025-11-17)


### Features

* added conda env for histograms ([53de051](https://github.com/snakemake-workflows/structure-based-screening/commit/53de0513516991d4de0c5df38ff277be39690f40))
* added conda specs to some rules ([c3e6317](https://github.com/snakemake-workflows/structure-based-screening/commit/c3e631701af3ae7001c69c8871c4d4c395868359))
* added sample config for the Mogon NHR cluster ([e30a5de](https://github.com/snakemake-workflows/structure-based-screening/commit/e30a5dee3e0a71b0221ece8c33d52beffd3265f8))
* first CI parts - still without testing ([9aad9d5](https://github.com/snakemake-workflows/structure-based-screening/commit/9aad9d5a5f308ff9c514ae98926267caa7d8b60d))
* stabilizing ZINC download ([1b91529](https://github.com/snakemake-workflows/structure-based-screening/commit/1b91529e774623557e5d085165b4d4d6131bdafc))
* supporting conda provisioned VinaLC ([a29c637](https://github.com/snakemake-workflows/structure-based-screening/commit/a29c63723b71894925fe9e0b6473ffb7bd9043ca))


### Bug Fixes

* added missing empty line ([bc5c773](https://github.com/snakemake-workflows/structure-based-screening/commit/bc5c77399b85225b0cf27198380dfcc83effc8b3))
* added versioning info ([ae1409d](https://github.com/snakemake-workflows/structure-based-screening/commit/ae1409dc5479c24fb6748b25c633ae8eda5727c8))
* corrected log file name to contain all wildcards ([ad93149](https://github.com/snakemake-workflows/structure-based-screening/commit/ad93149fbb37f7411bc2449c2a3e387ae1e0826f))
* enforce formatting ([60f464b](https://github.com/snakemake-workflows/structure-based-screening/commit/60f464b553ccd1cf53848ce83f0aa43140b86a59))
* formatting ([8c5081a](https://github.com/snakemake-workflows/structure-based-screening/commit/8c5081a1e1b386bdf86b1e80cb6ec98a3317efd6))
* formatting ([8df159a](https://github.com/snakemake-workflows/structure-based-screening/commit/8df159a14f93cd47b54e983d92d5f66e29735df4))
* formatting ([37a62ac](https://github.com/snakemake-workflows/structure-based-screening/commit/37a62acf1f44327734be7accd68c9ae5b69ef0d6))
* formatting - not logical ([88d4316](https://github.com/snakemake-workflows/structure-based-screening/commit/88d4316934a0bad15ef574633ad9a4e82b974ab3))
* formatting ... again ([0a96d7c](https://github.com/snakemake-workflows/structure-based-screening/commit/0a96d7c22b0f67df3790f6591af43453106da23b))
* formatting and stabelized ([0c46ed2](https://github.com/snakemake-workflows/structure-based-screening/commit/0c46ed2b361f9c9175538a79ae48794c6d6a4096))
* got rid of hard coded path ([a7d1e28](https://github.com/snakemake-workflows/structure-based-screening/commit/a7d1e28f86c3567a271557b759f5fa9a05d94a1c))
* got rid of hard coded paths ([d6b608d](https://github.com/snakemake-workflows/structure-based-screening/commit/d6b608d089e6c0f90d7d7b27783f4c22bf305920))
* got rid of hard coded paths ([888854c](https://github.com/snakemake-workflows/structure-based-screening/commit/888854cdb3045d28da17551a62bc37083b6452db))
* got rid of hard coded paths - add log directives ([068fa9a](https://github.com/snakemake-workflows/structure-based-screening/commit/068fa9aab82e1cf24eea3d699908f994334b6477))
* got rid of hard coded paths - and stable ZINC access ([2d47703](https://github.com/snakemake-workflows/structure-based-screening/commit/2d47703f3e82bdce2b2884465b08880af6fe17fa))
* header of the README file ([d69c427](https://github.com/snakemake-workflows/structure-based-screening/commit/d69c42751f1272f130f2fb27e4e2bb3c1155016f))
* merge conflict ([8322fe0](https://github.com/snakemake-workflows/structure-based-screening/commit/8322fe0cc3037a40de88f8a84d8ae5d1de6cdf01))
* merge conflict ([39a1f6b](https://github.com/snakemake-workflows/structure-based-screening/commit/39a1f6b255c117833be1eedd4c66f26eacb44819))
* merge conflict ([21220e9](https://github.com/snakemake-workflows/structure-based-screening/commit/21220e921c01459d66d4e4635458b5399220ff94))
* removed resource definition from config ([b9291d3](https://github.com/snakemake-workflows/structure-based-screening/commit/b9291d3e4a6b7651d5d1b2e886f4e05a945572de))
* reverting last change ([2ff4037](https://github.com/snakemake-workflows/structure-based-screening/commit/2ff403705752ce6f336a395baf495f9559bf5be0))
* working profile ([be91b70](https://github.com/snakemake-workflows/structure-based-screening/commit/be91b70db990b2c1a0ba3bb25ead5bde46df255c))