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Commit 72100e77 authored by Christoph Freysoldt's avatar Christoph Freysoldt
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new attempt: install via pip with fixed cuda version

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......@@ -5,10 +5,15 @@ channels:
dependencies:
- python
- pytorch
- pytorch-geometric
- pip
- pip:
- --find-links https://data.pyg.org/whl/torch-1.9.0+cu102.html
- scikit-learn
- torch-scatter
- torch-sparse
- torch-cluster
- torch-spline-conv
- torch-geometric
- e3nn
- ase
- pymatgen
......
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