From 795f3c03c0bc515526c3045a9f662300ce71c448 Mon Sep 17 00:00:00 2001 From: Eike Caldeweyher Date: Thu, 4 Feb 2021 13:02:24 +0100 Subject: [PATCH] Update: version, repository location, and tags in pyproject.toml --- pyproject.toml | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index c5df655..999e7f7 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,12 +1,12 @@ [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 "] [tool.poetry.dependencies]