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
- biopython >=1.84
- biotite
- chembl-structure-pipeline >=1.2.2
- click >=8.1.7
- dm-tree >=0.1.8
- einops >=0.8.0
- einx >=0.3.0
- fairscale >=0.4.13
- gemmi >=0.6.5
- huggingface-hub
- hydra-core >=1.3.2
- logomaker
- mashumaro >=3.14
- matplotlib
- modelcif >=1.2
- numba >=0.61.0
- numpy <2.0,>=1.26
- pandas >=2.2.2
- pydssp
- pytorch-lightning >=2.5.0
- pyyaml >=6.0.2
- rdkit >=2024.3.2
- requests >=2.32.3
- scikit-learn >=1.6.1
- scipy >=1.13.1
- torch >=2.4.1
- tqdm
37 optional dependencies
-
biopython>=1.84[protein]extra == "protein"
-
black==24.4.2[dev]extra == "dev"
-
cuequivariance-ops-cu12>=0.5.0[cuda]extra == "cuda"
-
cuequivariance-ops-torch-cu12>=0.5.0[cuda]extra == "cuda"
-
cuequivariance-torch>=0.5.0[cuda]extra == "cuda"
-
furo>=2024.1.29[dev]extra == "dev"
-
furo>=2024.1.29[doc]extra == "doc"
-
hydride[analysis]extra == "analysis"
-
logomaker[analysis]extra == "analysis"
-
matplotlib[train]extra == "train"
-
matplotlib[analysis]extra == "analysis"
-
myst-parser>=2.0.0[doc]extra == "doc"
-
myst-parser>=2.0.0[dev]extra == "dev"
-
nvidia-ml-py>=12.535.133[cuda]extra == "cuda"
-
p-tqdm[process]extra == "process"
-
pandas>=2.2.2[analysis]extra == "analysis"
-
pandas>=2.2.2[dev]extra == "dev"
-
pandas>=2.2.2[test]extra == "test"
-
pandas>=2.2.2[train]extra == "train"
-
pdbeccdutils[process]extra == "process"
-
pre-commit[dev]extra == "dev"
-
pytest[dev]extra == "dev"
-
pytest[test]extra == "test"
-
redis[process]extra == "process"
-
redis[dev]extra == "dev"
-
requests[dev]extra == "dev"
-
requests[test]extra == "test"
-
ruff[lint]extra == "lint"
-
ruff[dev]extra == "dev"
-
sphinx>=7[doc]extra == "doc"
-
sphinx>=7[dev]extra == "dev"
-
sphinx-autodoc-typehints>=1.25.2[doc]extra == "doc"
-
sphinx-autodoc-typehints>=1.25.2[dev]extra == "dev"
-
transformers>=4.45.0[admet]extra == "admet"
-
types-requests>=2.32.4[dev]extra == "dev"
-
wandb>=0.18.7[dev]extra == "dev"
-
wandb>=0.18.7[train]extra == "train"
Used By
- refua-mcp 482/mo
- refua-notebook 152/mo
- refua-schema 94/mo