Initial commit

This commit is contained in:
2025-11-14 18:46:03 +08:00
commit b85faf48cd
70 changed files with 57687 additions and 0 deletions

10
.gitignore vendored Normal file
View File

@@ -0,0 +1,10 @@
# pixi environments
.pixi/*
!.pixi/config.toml
data/
external_data/
extracted_sdf_files/
.ipynb_checkpoints
preprocessed_molecules/
preprocessed_molecules_unlimited/
*.png