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Update: version, repository location, and tags in pyproject.toml
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f3rmion committed Feb 4, 2021
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12 changes: 6 additions & 6 deletions pyproject.toml
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[tool.poetry]
name = "kallisto"
version = "0.1.0"
description = "kallisto calculates quantum mechanically derived atomic features."
license = "MIT"
version = "1.0.0"
description = "The Kallisto software enables the efficient calculation of atomic features that can be used within a quantitative structure-activity relationship (QSAR) approach. Furthermore, several modelling helpers are implemented."
license = "Apache 2.0"
readme = "README.md"
homepage = "https://github.com/f3rmion/kallisto"
repository = "https://github.com/f3rmion/kallisto"
keywords = ["quantum mechanics", "atomic featurizer", "machine learning"]
homepage = "https://github.com/AstraZeneca/kallisto"
repository = "https://github.com/AstraZeneca/kallisto"
keywords = ["chemistry", "computational-chemistry", "quantum-chemistry", "machinelearning"]
authors = ["Eike Caldeweyher <[email protected]>"]

[tool.poetry.dependencies]
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