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Update requirements.txt
Browse files- requirements.txt +10 -23
requirements.txt
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# ------------------------------------------------------------
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# Use PyPI for general packages, and add PyTorch CPU wheels as extra
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# ------------------------------------------------------------
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--index-url https://pypi.org/simple
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--extra-index-url https://download.pytorch.org/whl/cpu
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# ------
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torchvision==0.17.0
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torchaudio==2.2.0
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# ------
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# PyTorch Geometric compiled wheels matched to torch 2.2.0 CPU
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# ------------------------------------------------------------
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-f https://data.pyg.org/whl/torch-2.2.0+cpu.html
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pyg-lib==0.4.0
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torch-scatter==2.1.2
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torch-spline-conv==1.2.2
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torch-geometric==2.5.3
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# ------
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# Core scientific stack
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# ------------------------------------------------------------
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numpy>=1.24
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pandas>=2.0
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scikit-learn>=1.3
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joblib>=1.3
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tqdm>=4.66
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# ------
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# ------------------------------------------------------------
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transformers>=4.39
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datasets>=2.18
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sentencepiece>=0.1.99
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tiktoken>=0.6.0
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huggingface_hub>=0.20.0
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safetensors>=0.4.0
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# ------
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# App + tooling
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# ------------------------------------------------------------
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gradio>=4.0
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requests>=2.31
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beautifulsoup4>=4.12
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selfies>=2.1
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python-dotenv>=1.0.0
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# Chemistry
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rdkit
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--index-url https://pypi.org/simple
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--extra-index-url https://download.pytorch.org/whl/cpu
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# --- PyTorch CPU (explicit +cpu is safest on Spaces) ---
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torch==2.2.0+cpu
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torchvision==0.17.0+cpu
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torchaudio==2.2.0+cpu
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# --- PyG wheels matched to torch 2.2.0 CPU ---
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-f https://data.pyg.org/whl/torch-2.2.0+cpu.html
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pyg-lib==0.4.0
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torch-scatter==2.1.2
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torch-spline-conv==1.2.2
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torch-geometric==2.5.3
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# --- Core stack ---
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numpy>=1.24
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pandas>=2.0
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scikit-learn>=1.3
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joblib>=1.3
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tqdm>=4.66
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# --- HF / NLP ---
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transformers==4.39.3
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datasets>=2.18
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sentencepiece>=0.1.99
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tiktoken>=0.6.0
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huggingface_hub>=0.20.0
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safetensors>=0.4.0
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# --- App ---
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gradio>=4.0
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requests>=2.31
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beautifulsoup4>=4.12
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selfies>=2.1
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python-dotenv>=1.0.0
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# --- Chemistry ---
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rdkit
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