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Fix project meta data for distribution (#194)
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pyproject.toml

Lines changed: 25 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -26,6 +26,20 @@ known_first_party = [
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name = "mattergen"
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version = "1.0.2"
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requires-python = ">= 3.10"
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description = "MatterGen is a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property constraints."
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readme = "README.md"
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license = "MIT"
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urls.repository = "https://github.com/microsoft/mattergen"
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classifiers = [
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"Intended Audience :: Science/Research",
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"Programming Language :: Python :: 3",
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"Programming Language :: Python :: 3.10",
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"Programming Language :: Python :: 3.11",
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"Programming Language :: Python :: 3.12",
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"Programming Language :: Python :: 3.13",
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"Topic :: Scientific/Engineering :: Chemistry",
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"Topic :: Scientific/Engineering :: Physics",
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]
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dependencies = [
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"ase>=3.22.1",
@@ -68,6 +82,14 @@ dependencies = [
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"wandb>=0.10.33",
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]
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[project.scripts]
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mattergen-generate = "mattergen.scripts.generate:_main"
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mattergen-train = "mattergen.scripts.run:mattergen_main"
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mattergen-finetune = "mattergen.scripts.finetune:mattergen_finetune"
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mattergen-evaluate = "mattergen.scripts.evaluate:_main"
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csv-to-dataset = "mattergen.scripts.csv_to_dataset:main"
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[tool.setuptools.packages.find]
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include = ["mattergen*"]
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@@ -100,9 +122,6 @@ url = "https://download.pytorch.org/whl/cu118"
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explicit = true
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[project.scripts]
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mattergen-generate = "mattergen.scripts.generate:_main"
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mattergen-train = "mattergen.scripts.run:mattergen_main"
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mattergen-finetune = "mattergen.scripts.finetune:mattergen_finetune"
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mattergen-evaluate = "mattergen.scripts.evaluate:_main"
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csv-to-dataset = "mattergen.scripts.csv_to_dataset:main"
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[build-system]
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requires = ["setuptools >=77.0.3"]
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build-backend = "setuptools.build_meta"

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