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
- chembl-structure-pipeline
- jsonargparse >=4.17
- lightning ==2.5.1
- numpy
- pandas
- pysmiles ==1.1.2
- rdkit ==2024.3.6
- torch
- transformers
14 optional dependencies
-
chebi-utils>=0.4[dev]extra == "dev"
-
deepsmiles[dev]extra == "dev"
-
matplotlib[plot]extra == "plot"
-
networkx[dev]extra == "dev"
-
omegaconf[dev]extra == "dev"
-
pre-commit[linters]extra == "linters"
-
requests[dev]extra == "dev"
-
ruff[linters]extra == "linters"
-
scikit-learn[dev]extra == "dev"
-
scipy[dev]extra == "dev"
-
seaborn[plot]extra == "plot"
-
selfies[dev]extra == "dev"
-
torchmetrics[dev]extra == "dev"
-
wandb[wandb]extra == "wandb"
Used By
- chebai-graph 408/mo