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
- bibtexparser ==2.0.0b9
- biopython >=1.81
- fastapi
- fonttools
- hydra-core >=1.3.2
- immutabledict >=4.1.0
- joblib >=1.3.2
- matplotlib >=3.6.0
- msgpack
- numpy >=1.26
- omegaconf >=2.3.0
- openpyxl
- pandas >=2.1.0
- platformdirs
- pooch
- pyopenssl >=23.3.0
- rdkit >=2023.9.4
- requests >=2.33.0
- rosettapy ==0.2.15
- scikit-learn >=1.3.0
- scipy >=1.11.2
- tqdm
- typing-extensions >=4.9.0
- uvicorn <1.0.0,>=0.12.0
- webcolors
- xlrd
86 optional dependencies
-
asgiref>=3.8.1[openmm]extra == "openmm"
-
bandit==1.7.10[test]extra == "test"
-
biotite>=1.1.0[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
biotite>=1.1.0[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
biotite>=1.1.0[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
black<=24.10.0[test]extra == "test"
-
check-manifest<=0.50[test]extra == "test"
-
colabdesign[colabdesign]extra == "colabdesign"
-
coverage[test]extra == "test"
-
cudatoolkit>=11.1[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
diffpack[diffpack]extra == "diffpack"
-
dllogger[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
dllogger[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
dllogger[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
dlpacker[dlpacker]extra == "dlpacker"
-
dlpacker-pytorch[dlpacker-pytorch]extra == "dlpacker-pytorch"
-
dm-haiku<=0.0.14[colabdesign]extra == "colabdesign"
-
fair-esm2[esm2]extra == "esm2"
-
fastapi[test]extra == "test"
-
flake8[test]extra == "test"
-
flake8-bugbear==24.8.19[test]extra == "test"
-
flake8-docstrings[test]extra == "test"
-
flake8-formatter-junit-xml[test]extra == "test"
-
flake8-pyproject[test]extra == "test"
-
httpx[test]extra == "test"
-
jax<0.6.0,>=0.4.25[colabdesign]extra == "colabdesign"
-
meeko[vina]extra == "vina"
-
memray[memray]extra == "memray"
-
mkdocs>=1.6[docs]extra == "docs"
-
mkdocs-material>=9.5[docs]extra == "docs"
-
mkdocstrings>=0.25[docs]extra == "docs"
-
nvtx[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
nvtx[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
nvtx[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
nvtx-mock[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
nvtx-mock[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
openmm>=8.1.1[openmm]extra == "openmm"
-
openmm-setup[openmm]extra == "openmm"
-
pdbfixer[openmm]extra == "openmm"
-
pippack[pippack]extra == "pippack"
-
pre-commit[test]extra == "test"
-
psutil[test]extra == "test"
-
pydantic[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
pydantic[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
pydantic[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
pylint==3.2.7[test]extra == "test"
-
pylint-junit[test]extra == "test"
-
pyrsistent[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
pyrsistent[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
pyrsistent[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
pyspark>=3.0.0[spark]extra == "spark"
-
pytest[test]extra == "test"
-
pytest-cov<=6.0.0[test]extra == "test"
-
pytest-dependency[test]extra == "test"
-
pytest-emoji[test]extra == "test"
-
pytest-github-actions-annotate-failures[test]extra == "test"
-
pytest-memray[memray]extra == "memray"
-
pytest-mock<3.14.1[test]extra == "test"
-
pytest-order[test]extra == "test"
-
pytest-qt>=4.4.0[test]extra == "test"
-
pytest-runner[test]extra == "test"
-
pytest-xdist>=3.6.1[test]extra == "test"
-
pytorch-lightning<=2.5.3[thermompnn]extra == "thermompnn"
-
rfdiffusion[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
rfdiffusion[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
rfdiffusion[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
se3-transformer[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
se3-transformer[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
se3-transformer[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
shellcheck-py==0.10.0.1[test]extra == "test"
-
thermompnn[thermompnn]extra == "thermompnn"
-
torch<=2.3.0[pippack]extra == "pippack"
-
torch<=2.3.0[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
torch<=2.3.0[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
torch<=2.3.0[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
torchaudio[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
torchaudio[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
torchaudio[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
torchdata==0.7.1[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
torchdata==0.7.1[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
torchdata==0.7.1[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
torchvision[rfdiffusion-mps]extra == "rfdiffusion-mps"
-
torchvision[rfdiffusion-cuda]extra == "rfdiffusion-cuda"
-
torchvision[rfdiffusion-cpu]extra == "rfdiffusion-cpu"
-
virtualenv<=20.27.1[test]extra == "test"
-
wandb==0.16.0[rfdiffusion-mps]extra == "rfdiffusion-mps"