Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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Dependencies
- click
- dm-tree >=0.1.8
- jaxtyping >=0.3.2
- loguru
- numpy <2.4
- nvalchemi-toolkit-ops >=0.4.1
- nvidia-physicsnemo >=2.0.0
- periodictable ==2.0.2
- plotext
- plum-dispatch >=2.5.7
- pydantic >=2.11.7
- rich >=13.0.0
- tensordict >=0.11.0
- torch >=2.8
- zarr >=3
19 optional dependencies
-
aimnet[aimnet]extra == "aimnet"
-
ase>=3.27.0[ase]extra == "ase"
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cuequivariance-ops-torch-cu12>=0.8.0[cu12]sys_platform != "darwin" and extra == "cu12"
-
cuequivariance-ops-torch-cu13>=0.8.0[cu13]sys_platform != "darwin" and extra == "cu13"
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cuequivariance-torch>=0.8.0[mace]extra == "mace"
-
cuml-cu12>=25.6.0[cu12]sys_platform != "darwin" and extra == "cu12"
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cuml-cu13>=25.6.0[cu13]sys_platform != "darwin" and extra == "cu13"
-
fairchem-core>=2.0.0[uma]extra == "uma"
-
mace-torch==0.3.15[mace]extra == "mace"
-
nvalchemi-toolkit-ops>=0.4.1[cu12]sys_platform != "darwin" and extra == "cu12"
-
nvalchemi-toolkit-ops>=0.4.1[cu13]sys_platform != "darwin" and extra == "cu13"
-
nvidia-physicsnemo>=2.0.0[cu12]sys_platform != "darwin" and extra == "cu12"
-
nvidia-physicsnemo>=2.0.0[cu13]sys_platform != "darwin" and extra == "cu13"
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pymatgen>=2025.10.7[pymatgen]extra == "pymatgen"
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tensorboard[tensorboard]extra == "tensorboard"
-
torch[cu12]sys_platform != "darwin" and extra == "cu12"
-
torch[cu13]sys_platform != "darwin" and extra == "cu13"
-
torchvision[cu12]sys_platform != "darwin" and extra == "cu12"
-
torchvision[cu13]sys_platform != "darwin" and extra == "cu13"