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jannisborn commited on
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b8ce09b
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update

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  1. requirements.txt +1 -0
requirements.txt CHANGED
@@ -17,6 +17,7 @@ gradio>=3.9
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  markdown-it-py>=2.1.0
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  mols2grid>=0.2.0
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  pandas>=1.0.0
 
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  terminator @ git+https://github.com/IBM/regression-transformer@gt4sd
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  guacamol_baselines @ git+https://github.com/GT4SD/guacamol_baselines.git@v0.0.2
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  moses @ git+https://github.com/GT4SD/moses.git@v0.1.0
 
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  markdown-it-py>=2.1.0
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  mols2grid>=0.2.0
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  pandas>=1.0.0
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+ pymatgen>=2023.1.9
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  terminator @ git+https://github.com/IBM/regression-transformer@gt4sd
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  guacamol_baselines @ git+https://github.com/GT4SD/guacamol_baselines.git@v0.0.2
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  moses @ git+https://github.com/GT4SD/moses.git@v0.1.0