update

2025-10-15 20:14:12 +08:00
parent f4afbb7712
commit 7ac0e58599
16 changed files with 6085 additions and 0 deletions
--- a/pixi.toml
+++ b/pixi.toml
@@ -0,0 +1,15 @@
+[workspace]
+authors = ["hotwa <pylyzeng@gmail.com>"]
+channels = ["conda-forge"]
+name = "vinatools"
+platforms = ["osx-arm64", "linux-aarch64"]
+version = "0.1.0"
+
+[tasks]
+
+[dependencies]
+rdkit = ">=2025.9.1,<2026"
+openbabel = ">=3.1.1,<4"
+meeko = ">=0.5.0,<0.6"
+jupyter = ">=1.1.1,<2"
+notebook = ">=7.4.7,<8"