diff --git a/environment.yml b/environment.yml new file mode 100644 index 0000000..fc8e75b --- /dev/null +++ b/environment.yml @@ -0,0 +1,18 @@ +name: matten +channels: + - pytorch + - conda-forge + - pyg + - defaults +dependencies: + - pytorch>=2.0.0 + - pyg>=2.3.0 + - pytorch-scatter + - pytorch-lightning>=2.0.0 + - torchmetrics>=0.11.0 + - pymatgen + - loguru + - pandas + - pytest + - pip: + - torchtyping