Remove graph-pes model integration

.github/workflows/docs.yml

@@ -34,7 +34,7 @@ jobs:
           uv pip install ".[test,docs]" --system
 
       - name: Install extras for tutorial generation
-        run: uv pip install ".[graphpes,mace,metatomic]" --system
+        run: uv pip install ".[mace,metatomic]" --system
 
       - name: Copy tutorials
         run: |

.github/workflows/test.yml

@@ -61,7 +61,6 @@ jobs:
           - { python: '3.14', resolution: highest }
         model:
           - { name: fairchem, test_path: "tests/models/test_fairchem.py" }
-          - { name: graphpes, test_path: "tests/models/test_graphpes_framework.py" }
           - { name: mace, test_path: "tests/models/test_mace.py" }
           - { name: mace, test_path: "tests/test_elastic.py" }
           - { name: mace, test_path: "tests/test_optimizers_vs_ase.py" }

README.md

@@ -14,7 +14,7 @@ era. By rewriting the core primitives of atomistic simulation in Pytorch, it all
 orders of magnitude acceleration of popular machine learning potentials.
 
 * Automatic batching and GPU memory management allowing significant simulation speedup
-* Support for MACE, Fairchem, SevenNet, ORB, MatterSim, graph-pes, metatomic, and Nequix MLIP models
+* Support for MACE, Fairchem, SevenNet, ORB, MatterSim, metatomic, and Nequix MLIP models
 * Support for classical lennard jones, morse, and soft-sphere potentials
 * Molecular dynamics integration schemes like NVE, NVT Langevin, and NPT Langevin
 * Relaxation of atomic positions and cell with gradient descent and FIRE

docs/conf.py

@@ -68,7 +68,6 @@
     "metatomic",
     "orb",
     "sevennet",
-    "graphpes",
 ]
 
 # use type hints

docs/tutorials/index.rst

@@ -18,6 +18,5 @@ versions of the tutorials can also be found in the `torch-sim /examples/tutorial
     autobatching_tutorial
     low_level_tutorial
     hybrid_swap_tutorial
-    using_graphpes_tutorial
     metatomic_tutorial
     integrator_tests_analysis

pyproject.toml

@@ -56,7 +56,6 @@ mattersim = ["mattersim>=1.2.2"]
 metatomic = ["metatomic-torchsim>=0.1.1", "metatomic-ase>=0.1.0", "upet>=0.2.0"]
 orb = ["orb-models>=0.6.2"]
 sevenn = ["sevenn[torchsim]>=0.12.1"]
-graphpes = ["graph-pes>=0.1", "mace-torch>=0.3.12"]
 nequip = ["nequip>=0.17.1"]
 nequix = ["nequix[torch-sim]>=0.4.5"]
 fairchem = ["fairchem-core>=2.7", "scipy<1.17.0"]
@@ -152,14 +151,6 @@ markers = [
 # make these dependencies mutually exclusive since they use incompatible e3nn versions
 # see https://docs.astral.sh/uv/concepts/projects/config/#conflicting-dependencies for more details
 conflicts = [
-    [
-        { extra = "fairchem" },
-        { extra = "graphpes" },
-    ],
-    [
-        { extra = "fairchem" },
-        { extra = "graphpes" },
-    ],
     [
         { extra = "fairchem" },
         { extra = "mace" },
@@ -168,22 +159,6 @@ conflicts = [
         { extra = "fairchem" },
         { extra = "mace" },
     ],
-    [
-        { extra = "graphpes" },
-        { extra = "mattersim" },
-    ],
-    [
-        { extra = "graphpes" },
-        { extra = "nequip" },
-    ],
-    [
-        { extra = "graphpes" },
-        { extra = "nequix" },
-    ],
-    [
-        { extra = "graphpes" },
-        { extra = "sevenn" },
-    ],
     [
         { extra = "mace" },
         { extra = "mattersim" },