Initial commit

2026-07-13 18:00:38 +03:00
commit b3ff218dfb
4 changed files with 338 additions and 0 deletions
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+.venv/
+__pycache__/
+*.py[cod]
+
+# Local ChEMBL download (about 738 MB); obtain it separately before running.
+chembl_*.txt
+
+# Files generated by molmesh.py
+*_similarities.csv
+test_results.csv
+test_structures/