Merge pull request #289 from Exabyte-io/feature/mace-nb

update: add relaxation with MACE (SOF-7889)

Author: VsevolodX

config.yml

@@ -72,3 +72,24 @@ notebooks:
       - mat3ra-ade
       - mat3ra-wode
       - mat3ra-prode
+  - name: torch
+    packages_pyodide:
+      - emfs:/drive/packages/torch-2.1.0a0-cp311-cp311-emscripten_3_1_45_wasm32.whl
+  - name: mace
+    packages_pyodide:
+      # Packages with dependencies
+      - opt_einsum
+      - prettytable
+      - orjson
+      - anywidget
+      # Packages without dependencies (using nodeps: prefix)
+      - nodeps:opt_einsum_fx
+      - nodeps:e3nn==0.4.4
+      - nodeps:torch_ema
+      - nodeps:lightning-utilities
+      - nodeps:torchmetrics
+      - nodeps:mace-torch
+      # Stubbed packages (will be patched by torch_pyodide)
+      - ssl
+      - h5py
+      - lmdb