diff --git a/README.md b/README.md index 35f64d3..c28dee3 100644 --- a/README.md +++ b/README.md @@ -18,7 +18,7 @@ or install it directly with pip install git+https://github.com/ChEB-AI/python-chebai-graph.git ``` -The dependencies `torch`, `torch_geometric` and `torch-sparse` cannot be installed automatically. +The dependencies `torch`, `torch_geometric` and `torch_scatter` cannot be installed automatically. Use the following command: @@ -27,8 +27,8 @@ pip install torch torch_scatter torch_geometric -f https://data.pyg.org/whl/torc ``` Replace: -- `${TORCH}` with a PyTorch version (e.g., `2.6.0`; for later versions, check first if they are compatible with torch_scatter and torch_geometric) -- `${CUDA}` with e.g. `cpu`, `cu118`, or `cu121` depending on your system and CUDA version +- `${TORCH}` with a PyTorch version (e.g., `2.8.0`; for later versions, check first if they are compatible with torch_scatter and [torch_geometric](https://pytorch-geometric.readthedocs.io/en/latest/install/installation.html)) +- `${CUDA}` with `cpu`, `cu118`, `cu121` (or other, depending on your system and CUDA version) If you already have `torch` installed, make sure that `torch_scatter` and `torch_geometric` are compatible with your PyTorch version and are installed with the same CUDA version. diff --git a/pyproject.toml b/pyproject.toml index 3617dfc..2159beb 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -7,21 +7,21 @@ authors = [ ] dependencies = [ "chebai", - "descriptastorus" + # below packages need to manually installed as mentioned in readme + # torch-geometric + # torch_scatter ] [project.optional-dependencies] dev = [ "tox", - "pre-commit", - "black" + "descriptastorus", ] -inference = [ - "chebai" # pip install chebai[inference] - # below packages need to manually installed as mentioned in readme - # torch-geometric - # torch_scatter +linters = [ + "isort", + "pre-commit", + "black", ] [build-system]