16 lines
307 B
TOML
16 lines
307 B
TOML
[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"
|