29 lines
922 B
TOML
29 lines
922 B
TOML
[workspace]
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authors = ["hotwa <pylyzeng@gmail.com>"]
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channels = ["conda-forge", "pytorch", "nvidia"]
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name = "SIME"
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platforms = ["linux-64"]
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version = "0.1.0"
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[tasks]
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[dependencies]
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python = "3.12.*"
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cuda-toolkit = { version = "12.8.*", channel = "nvidia" }
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pandas = { version = ">=2.3.3,<3", channel = "conda-forge" }
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xgboost = { version = ">=3.0.5,<4", channel = "conda-forge" }
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pyyaml = { version = ">=6.0.3,<7", channel = "conda-forge" }
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pip = { version = ">=25.2,<26", channel = "conda-forge" }
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click = { version = ">=8.3.0,<9", channel = "conda-forge" }
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openpyxl = { version = ">=3.1.5,<4", channel = "conda-forge" }
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ipython = { version = ">=9.6.0,<10", channel = "conda-forge" }
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[pypi-options]
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extra-index-urls = ["https://download.pytorch.org/whl/cu128"]
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[pypi-dependencies]
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torch = "==2.8.0+cu128"
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torchvision = "==0.23.0+cu128"
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torchaudio = "==2.8.0+cu128"
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torch-geometric = ">=2.5.0,<3"
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rdkit = "*" |