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
- awscli
- awscrt
- biotite
- boto3
- func-timeout
- ijson
- kalign-python
- lmdb
- memory-profiler
- ml-collections
- numpy
- pandas
- pdbeccdutils
- pytorch-lightning >=2.1
- pyyaml
- rdkit <2026
- requests
- scipy
- torch
- tqdm
- typing-extensions
- wandb
18 optional dependencies
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cuequivariance>=0.8[cuequivariance]extra == "cuequivariance"
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cuequivariance-ops-torch-cu12>=0.8[cuequivariance]extra == "cuequivariance"
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cuequivariance-torch>=0.8[cuequivariance]extra == "cuequivariance"
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deepspeed>=0.18.7[deepspeed]extra == "deepspeed"
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furo[dev]extra == "dev"
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mypy[dev]extra == "dev"
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mypy-baseline[dev]extra == "dev"
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myst-parser[dev]extra == "dev"
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pre-commit[dev]extra == "dev"
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pytest[dev]extra == "dev"
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pytest-benchmark[dev]extra == "dev"
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pytest-cov[dev]extra == "dev"
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pytest-regressions[dev]extra == "dev"
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pytest-vcr[dev]extra == "dev"
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pytest-xdist[dev]extra == "dev"
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ruff[dev]extra == "dev"
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sphinx[dev]extra == "dev"
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torch>=2.7[cuequivariance]extra == "cuequivariance"