Add scripts for analyzing binning precision and centering of GEOM con…#26
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T4ras123 wants to merge 1 commit into
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Add scripts for analyzing binning precision and centering of GEOM con…#26T4ras123 wants to merge 1 commit into
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…formers - Introduced `analyze_binning_precision.py` to measure coordinate precision loss from binning methods (uniform, quantile, raw text). - Added `analyze_coord_centering.py` for centering conformers, verifying centering accuracy, and computing L/H bounds on centered data. - Created `center_and_analyze.py` to center conformers, report centering statistics, and save coordinate distributions before and after centering. - Implemented `get_Qwen3_binned_258.py` to create a new tokenizer with binned tokens for enhanced molecular representation.
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…formers
analyze_binning_precision.pyto measure coordinate precision loss from binning methods (uniform, quantile, raw text).analyze_coord_centering.pyfor centering conformers, verifying centering accuracy, and computing L/H bounds on centered data.center_and_analyze.pyto center conformers, report centering statistics, and save coordinate distributions before and after centering.get_Qwen3_binned_258.pyto create a new tokenizer with binned tokens for enhanced molecular representation.