Create requirements.txt

requirements.txt

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+streamlit>=1.28.0
+plotly>=5.17.0
+torch>=2.0.0
+transformers>=4.30.0
+captum>=0.6.0
+numpy>=1.24.0
+pandas>=2.0.0
+rdkit>=2023.9.1
+smirk==0.1.0
+datasets>=2.20
+matplotlib>=3.7.0
+pillow>=10.0.0