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 |