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Update RDKit to 2025.9.4

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PiperOrigin-RevId: 865437867
Change-Id: Iaa116d661bb5743e285efcfe7115f8242f7c0db9
This commit is contained in:
Augustin Zidek
2026-02-04 09:14:59 -08:00
committed by Copybara-Service
parent cf4bb5bd9e
commit c13d928a34
2 changed files with 9 additions and 5 deletions
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2
pyproject.toml
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@@ -20,7 +20,7 @@ dependencies = [
"jax==0.8.1",
"jax[cuda12]==0.8.1",
"numpy",
"rdkit==2024.3.5",
"rdkit==2025.9.4",
"setuptools==78.1.0",
"tokamax==0.0.8",
"tqdm",

12
uv.lock generated
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@@ -115,7 +115,7 @@ requires-dist = [
{ name = "jax", specifier = "==0.8.1" },
{ name = "jax", extras = ["cuda12"], specifier = "==0.8.1" },
{ name = "numpy" },
{ name = "rdkit", specifier = "==2024.3.5" },
{ name = "rdkit", specifier = "==2025.9.4" },
{ name = "setuptools", specifier = "==78.1.0" },
{ name = "tokamax", specifier = "==0.0.8" },
{ name = "tqdm" },
@@ -1468,15 +1468,19 @@ wheels = [
[[package]]
name = "rdkit"
version = "2024.3.5"
version = "2025.9.4"
source = { registry = "https://pypi.org/simple" }
dependencies = [
{ name = "numpy", marker = "(platform_machine == 'aarch64' and sys_platform == 'linux') or (platform_machine == 'x86_64' and sys_platform == 'linux')" },
{ name = "pillow", marker = "(platform_machine == 'aarch64' and sys_platform == 'linux') or (platform_machine == 'x86_64' and sys_platform == 'linux')" },
]
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[[package]]