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Add requirements file
requirements.txt
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| ase==3.22.1 | ||
| scikit-learn==1.4.1 | ||
| dscribe==2.1.0 | ||
| numpy==1.26.4 | ||
| scipy==1.12.0 | ||
| matplotlib==3.8.3 | ||
| \ No newline at end of file |
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| ase==3.22.1 | ||
| scikit-learn==1.4.1 | ||
| dscribe==2.1.0 | ||
| numpy==1.26.4 | ||
| scipy==1.12.0 | ||
| matplotlib==3.8.3 | ||
| \ No newline at end of file |