drugilsberg commited on
Commit
5568275
1 Parent(s): 9c92b60

fix: including pymatgen in the requirements.

Browse files

Signed-off-by: Matteo Manica <drugilsberg@gmail.com>

Files changed (1) hide show
  1. requirements.txt +2 -1
requirements.txt CHANGED
@@ -12,6 +12,7 @@ gt4sd>=1.0.5
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  molgx>=0.22.0a1
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  molecule_generation
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  nglview
 
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  PyTDC==0.3.7
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  gradio==3.12.0
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  markdown-it-py>=2.1.0
@@ -26,4 +27,4 @@ paccmann_generator @ git+https://github.com/PaccMann/paccmann_generator@0.0.2
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  paccmann_gp @ git+https://github.com/PaccMann/paccmann_gp@0.1.1
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  paccmann_omics @ git+https://github.com/PaccMann/paccmann_omics@0.0.1.1
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  paccmann_predictor @ git+https://github.com/PaccMann/paccmann_predictor@sarscov2
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- reinvent_models @ git+https://github.com/GT4SD/reinvent_models@v0.0.1
 
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  molgx>=0.22.0a1
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  molecule_generation
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  nglview
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+ pymatgen>=2022.11.7
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  PyTDC==0.3.7
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  gradio==3.12.0
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  markdown-it-py>=2.1.0
 
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  paccmann_gp @ git+https://github.com/PaccMann/paccmann_gp@0.1.1
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  paccmann_omics @ git+https://github.com/PaccMann/paccmann_omics@0.0.1.1
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  paccmann_predictor @ git+https://github.com/PaccMann/paccmann_predictor@sarscov2
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+ reinvent_models @ git+https://github.com/GT4SD/reinvent_models@v0.0.1