diff --git a/requirements.txt b/requirements.txt index 5f2d045..068a3e3 100644 --- a/requirements.txt +++ b/requirements.txt @@ -21,8 +21,8 @@ zipp>=3.19.1 umap-learn torch-optimizer tqdm>=4.66.4 -mordred +mordredcommunity triton==2.2.0 ase==3.24.0 torch_scatter -torch_nl==0.3 \ No newline at end of file +torch_nl==0.3