Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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Dependencies
- atomworks <3.0.0,>=2.2.1
- beartype <1,>=0.18.0
-
cuequivariance
==0.10.0
sys_platform == "linux"
-
cuequivariance-ops-cu13
==0.10.0
sys_platform == "linux"
-
cuequivariance-ops-torch-cu13
==0.10.0
sys_platform == "linux"
-
cuequivariance-torch
==0.10.0
sys_platform == "linux"
- dm-tree <1,>=0.1.6
- einops <1,>=0.8.0
- einx <1,>=0.1.0
- environs <12,>=11.0.0
- huggingface-hub <2,>=1.0.0
- hydra-colorlog >=1.2.0
- hydra-core <1.4,>=1.3.0
- jaxtyping <1,>=0.2.17
- lightning >=2.5.0
- loralib >=0.1.1
- opt-einsum <4,>=3.4.0
- pandas
- pyarrow
- pydantic
- rc-foundry <0.3.0,>=0.2.0
- rich >=13.9.4
- rootutils <1.1,>=1.0.7
- toolz
- torch ==2.13.0
- torchdata
- typer <1,>=0.20.0
- wandb <1,>=0.15.10
- zstandard
61 optional dependencies
-
accelerate[all]extra == "all"
-
accelerate[dev]extra == "dev"
-
accelerate[zevals]extra == "zevals"
-
atomworks<3.0.0,>=2.2.1[dev]extra == "dev"
-
biopython[dev]extra == "dev"
-
biopython[zevals]extra == "zevals"
-
biopython[all]extra == "all"
-
biotite[all]extra == "all"
-
biotite[zevals]extra == "zevals"
-
biotite[dev]extra == "dev"
-
debugpy<2,>=1.8.5[dev]extra == "dev"
-
fpsim2[zevals]extra == "zevals"
-
fpsim2[all]extra == "all"
-
fpsim2[dev]extra == "dev"
-
huggingface-hub[all]extra == "all"
-
huggingface-hub[dev]extra == "dev"
-
huggingface-hub[zevals]extra == "zevals"
-
ipdb[dev]extra == "dev"
-
ipykernel<7,>=6.29.4[dev]extra == "dev"
-
matminer>=0.10[all]extra == "all"
-
matminer>=0.10[zevals]extra == "zevals"
-
matminer>=0.10[dev]extra == "dev"
-
posebusters[zevals]extra == "zevals"
-
posebusters[dev]extra == "dev"
-
posebusters[all]extra == "all"
-
pre-commit[dev]extra == "dev"
-
prody[dev]extra == "dev"
-
prody[all]extra == "all"
-
prody[zevals]extra == "zevals"
-
pydantic>=2.8[zatom2]extra == "zatom2"
-
pydantic>=2.8[all]extra == "all"
-
pydantic>=2.8[dev]extra == "dev"
-
pydantic>=2.8[zevals]extra == "zevals"
-
pymatgen[zevals]extra == "zevals"
-
pymatgen[all]extra == "all"
-
pymatgen[dev]extra == "dev"
-
pytest<9,>=8.2.0[dev]extra == "dev"
-
pytest-benchmark<6,>=5.0.0[dev]extra == "dev"
-
pytest-cov<5,>=4.1.0[dev]extra == "dev"
-
pytest-dotenv<1,>=0.5.2[dev]extra == "dev"
-
pytest-testmon<3,>=2.1.1[dev]extra == "dev"
-
pytest-xdist<4,>=3.6.1[dev]extra == "dev"
-
rdkit[all]extra == "all"
-
rdkit[zevals]extra == "zevals"
-
rdkit[dev]extra == "dev"
-
riboseek==0.1.0[zevals]extra == "zevals"
-
riboseek==0.1.0[dev]extra == "dev"
-
riboseek==0.1.0[all]extra == "all"
-
ruff==0.8.3[dev]extra == "dev"
-
smact[all]extra == "all"
-
smact[dev]extra == "dev"
-
smact[zevals]extra == "zevals"
-
torch-geometric[all]extra == "all"
-
torch-geometric[dev]extra == "dev"
-
torch-geometric[zevals]extra == "zevals"
-
tqdm[zevals]extra == "zevals"
-
tqdm[dev]extra == "dev"
-
tqdm[all]extra == "all"
-
transformers>=4.51[all]extra == "all"
-
transformers>=4.51[dev]extra == "dev"
-
transformers>=4.51[zevals]extra == "zevals"
Used By
- zatom2 2.6K/mo