Commit [3b722e]

Initial commit

Amanda-D Amanda-D 2025-04-19

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added .gitignore
added .travis.yml
added CHANGELOG.md
added LICENSE
added MANIFEST.in
added README.md
added asv_bench/asv.conf.json
added asv_bench/benchmarks/__init__.py
added asv_bench/benchmarks/fingerprints.py
added asv_bench/benchmarks/interactions.py
added asv_bench/benchmarks/molecules.py
added asv_bench/benchmarks/rdkit_fixer.py
added asv_bench/benchmarks/spatial.py
added azure-pipelines.yml
added bin/oddt_cli
added bin/oddt_debug
added conda/deploy.sh
added docs/.gitignore
added docs/Makefile
added docs/conf.py
added docs/index.rst
added docs/requirements.txt
added environment.yml
added oddt/__init__.py
added oddt/datasets.py
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